butan-2-ol;tert-butyl N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide;diethyl 2-[(E)-3-methoxyprop-2-enylidene]propanedioate;(3,5-difluorophenyl)methanamine;1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;ethyl 1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carboxylate;methane

C91H94F8N12O18 — CID 158619919

About butan-2-ol;tert-butyl N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide;diethyl 2-[(E)-3-methoxyprop-2-enylidene]propanedioate;(3,5-difluorophenyl)methanamine;1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;ethyl 1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carboxylate;methane

butan-2-ol;tert-butyl N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide;diethyl 2-[(E)-3-methoxyprop-2-enylidene]propanedioate;(3,5-difluorophenyl)methanamine;1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;ethyl 1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carboxylate;methane (PubChem CID 158619919) has the molecular formula C91H94F8N12O18 and a molecular weight of 1795.80 g/mol. Its IUPAC name is butan-2-ol;tert-butyl N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide;diethyl 2-[(E)-3-methoxyprop-2-enylidene]propanedioate;(3,5-difluorophenyl)methanamine;1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;ethyl 1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carboxylate;methane.

Molecular Properties

• Compound Name: butan-2-ol;tert-butyl N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide;diethyl 2-[(E)-3-methoxyprop-2-enylidene]propanedioate;(3,5-difluorophenyl)methanamine;1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;ethyl 1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carboxylate;methane
• PubChem CID: 158619919
• Molecular Formula: C91H94F8N12O18
• Molecular Weight: 1795.80 g/mol
• Exact Mass: 1794.67
• IUPAC Name: butan-2-ol;tert-butyl N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide;diethyl 2-[(E)-3-methoxyprop-2-enylidene]propanedioate;(3,5-difluorophenyl)methanamine;1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;ethyl 1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carboxylate;methane
• SMILES: C.CC(C)(C)OC(=O)NCc1noc(C2=CCc3ncccc32)n1.CCC(C)O.CCOC(=O)C(=C/C=C/OC)C(=O)OCC.CCOC(=O)c1cccn(Cc2cc(F)cc(F)c2)c1=O.NCc1cc(F)cc(F)c1.O=C(NCc1noc(C2=CCc3ncccc32)n1)c1cccn(Cc2cc(F)cc(F)c2)c1=O.O=C(O)c1cccn(Cc2cc(F)cc(F)c2)c1=O
• InChI: InChI=1S/C24H17F2N5O3.C16H18N4O3.C15H13F2NO3.C13H9F2NO3.C11H16O5.C7H7F2N.C4H10O.CH4/c25-15-9-14(10-16(26)11-15)13-31-8-2-4-19(24(31)33)22(32)28-12-21-29-23(34-30-21)18-5-6-20-17(18)3-1-7-27-20;1-16(2,3)22-15(21)18-9-13-19-14(23-20-13)11-6-7-12-10(11)5-4-8-17-12;1-2-21-15(20)13-4-3-5-18(14(13)19)9-10-6-11(16)8-12(17)7-10;14-9-4-8(5-10(15)6-9)7-16-3-1-2-11(12(16)17)13(18)19;1-4-15-10(12)9(7-6-8-14-3)11(13)16-5-2;8-6-1-5(4-10)2-7(9)3-6;1-3-4(2)5;/h1-5,7-11H,6,12-13H2,(H,28,32);4-6,8H,7,9H2,1-3H3,(H,18,21);3-8H,2,9H2,1H3;1-6H,7H2,(H,18,19);6-8H,4-5H2,1-3H3;1-3H,4,10H2;4-5H,3H2,1-2H3;1H4/b;;;;8-6+
• InChIKey: HXWFDKXEVQPXJN-ZPKOCGOBSA-N
• XLogP: 13.61
• TPSA: 408.73 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 24
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1795.80
LogP ≤ 5	13.61
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of butan-2-ol;tert-butyl N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide;diethyl 2-[(E)-3-methoxyprop-2-enylidene]propanedioate;(3,5-difluorophenyl)methanamine;1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;ethyl 1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carboxylate;methane?

The IUPAC name of butan-2-ol;tert-butyl N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide;diethyl 2-[(E)-3-methoxyprop-2-enylidene]propanedioate;(3,5-difluorophenyl)methanamine;1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;ethyl 1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carboxylate;methane (CID 158619919) is butan-2-ol;tert-butyl N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide;diethyl 2-[(E)-3-methoxyprop-2-enylidene]propanedioate;(3,5-difluorophenyl)methanamine;1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;ethyl 1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carboxylate;methane.

What is the SMILES notation for butan-2-ol;tert-butyl N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide;diethyl 2-[(E)-3-methoxyprop-2-enylidene]propanedioate;(3,5-difluorophenyl)methanamine;1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;ethyl 1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carboxylate;methane?

The canonical SMILES for butan-2-ol;tert-butyl N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide;diethyl 2-[(E)-3-methoxyprop-2-enylidene]propanedioate;(3,5-difluorophenyl)methanamine;1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;ethyl 1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carboxylate;methane is C.CC(C)(C)OC(=O)NCc1noc(C2=CCc3ncccc32)n1.CCC(C)O.CCOC(=O)C(=C/C=C/OC)C(=O)OCC.CCOC(=O)c1cccn(Cc2cc(F)cc(F)c2)c1=O.NCc1cc(F)cc(F)c1.O=C(NCc1noc(C2=CCc3ncccc32)n1)c1cccn(Cc2cc(F)cc(F)c2)c1=O.O=C(O)c1cccn(Cc2cc(F)cc(F)c2)c1=O.

What is the InChIKey of butan-2-ol;tert-butyl N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide;diethyl 2-[(E)-3-methoxyprop-2-enylidene]propanedioate;(3,5-difluorophenyl)methanamine;1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;ethyl 1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carboxylate;methane?

The InChIKey is HXWFDKXEVQPXJN-ZPKOCGOBSA-N. The full InChI is InChI=1S/C24H17F2N5O3.C16H18N4O3.C15H13F2NO3.C13H9F2NO3.C11H16O5.C7H7F2N.C4H10O.CH4/c25-15-9-14(10-16(26)11-15)13-31-8-2-4-19(24(31)33)22(32)28-12-21-29-23(34-30-21)18-5-6-20-17(18)3-1-7-27-20;1-16(2,3)22-15(21)18-9-13-19-14(23-20-13)11-6-7-12-10(11)5-4-8-17-12;1-2-21-15(20)13-4-3-5-18(14(13)19)9-10-6-11(16)8-12(17)7-10;14-9-4-8(5-10(15)6-9)7-16-3-1-2-11(12(16)17)13(18)19;1-4-15-10(12)9(7-6-8-14-3)11(13)16-5-2;8-6-1-5(4-10)2-7(9)3-6;1-3-4(2)5;/h1-5,7-11H,6,12-13H2,(H,28,32);4-6,8H,7,9H2,1-3H3,(H,18,21);3-8H,2,9H2,1H3;1-6H,7H2,(H,18,19);6-8H,4-5H2,1-3H3;1-3H,4,10H2;4-5H,3H2,1-2H3;1H4/b;;;;8-6+;;;.

What are the key properties of butan-2-ol;tert-butyl N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide;diethyl 2-[(E)-3-methoxyprop-2-enylidene]propanedioate;(3,5-difluorophenyl)methanamine;1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;ethyl 1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carboxylate;methane?

butan-2-ol;tert-butyl N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide;diethyl 2-[(E)-3-methoxyprop-2-enylidene]propanedioate;(3,5-difluorophenyl)methanamine;1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;ethyl 1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carboxylate;methane has a molecular weight of 1795.80 g/mol, XLogP of 13.61, 24 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for butan-2-ol;tert-butyl N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide;diethyl 2-[(E)-3-methoxyprop-2-enylidene]propanedioate;(3,5-difluorophenyl)methanamine;1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;ethyl 1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carboxylate;methane is sourced from PubChem (CID 158619919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).