N-[2-(2,3-dihydro-1H-inden-5-yl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-amine;N-[3-(1H-indazol-5-ylmethyl)-1,2,4-triazin-5-yl]-1,3,4-oxadiazol-2-amine;N-[2-(3-methoxyphenoxy)quinazolin-4-yl]-1,3,4-thiadiazol-2-amine;N-(6-methoxy-3-phenyl-1,2,4-triazin-5-yl)-4-methyl-1,3-thiazol-5-amine;N-[4-[[6-methyl-5-(1,3,4-thiadiazol-2-ylamino)-1,2,4-triazin-3-yl]oxy]phenyl]acetamide;N-[2-(3-phenylpropyl)quinazolin-4-yl]-1,3-oxazol-5-amine

C93H80N34O8S3 — CID 158616113

About N-[2-(2,3-dihydro-1H-inden-5-yl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-amine;N-[3-(1H-indazol-5-ylmethyl)-1,2,4-triazin-5-yl]-1,3,4-oxadiazol-2-amine;N-[2-(3-methoxyphenoxy)quinazolin-4-yl]-1,3,4-thiadiazol-2-amine;N-(6-methoxy-3-phenyl-1,2,4-triazin-5-yl)-4-methyl-1,3-thiazol-5-amine;N-[4-[[6-methyl-5-(1,3,4-thiadiazol-2-ylamino)-1,2,4-triazin-3-yl]oxy]phenyl]acetamide;N-[2-(3-phenylpropyl)quinazolin-4-yl]-1,3-oxazol-5-amine

N-[2-(2,3-dihydro-1H-inden-5-yl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-amine;N-[3-(1H-indazol-5-ylmethyl)-1,2,4-triazin-5-yl]-1,3,4-oxadiazol-2-amine;N-[2-(3-methoxyphenoxy)quinazolin-4-yl]-1,3,4-thiadiazol-2-amine;N-(6-methoxy-3-phenyl-1,2,4-triazin-5-yl)-4-methyl-1,3-thiazol-5-amine;N-[4-[[6-methyl-5-(1,3,4-thiadiazol-2-ylamino)-1,2,4-triazin-3-yl]oxy]phenyl]acetamide;N-[2-(3-phenylpropyl)quinazolin-4-yl]-1,3-oxazol-5-amine (PubChem CID 158616113) has the molecular formula C93H80N34O8S3 and a molecular weight of 1898.09 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1H-inden-5-yl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-amine;N-[3-(1H-indazol-5-ylmethyl)-1,2,4-triazin-5-yl]-1,3,4-oxadiazol-2-amine;N-[2-(3-methoxyphenoxy)quinazolin-4-yl]-1,3,4-thiadiazol-2-amine;N-(6-methoxy-3-phenyl-1,2,4-triazin-5-yl)-4-methyl-1,3-thiazol-5-amine;N-[4-[[6-methyl-5-(1,3,4-thiadiazol-2-ylamino)-1,2,4-triazin-3-yl]oxy]phenyl]acetamide;N-[2-(3-phenylpropyl)quinazolin-4-yl]-1,3-oxazol-5-amine.

Molecular Properties

• Compound Name: N-[2-(2,3-dihydro-1H-inden-5-yl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-amine;N-[3-(1H-indazol-5-ylmethyl)-1,2,4-triazin-5-yl]-1,3,4-oxadiazol-2-amine;N-[2-(3-methoxyphenoxy)quinazolin-4-yl]-1,3,4-thiadiazol-2-amine;N-(6-methoxy-3-phenyl-1,2,4-triazin-5-yl)-4-methyl-1,3-thiazol-5-amine;N-[4-[[6-methyl-5-(1,3,4-thiadiazol-2-ylamino)-1,2,4-triazin-3-yl]oxy]phenyl]acetamide;N-[2-(3-phenylpropyl)quinazolin-4-yl]-1,3-oxazol-5-amine
• PubChem CID: 158616113
• Molecular Formula: C93H80N34O8S3
• Molecular Weight: 1898.09 g/mol
• Exact Mass: 1896.61
• IUPAC Name: N-[2-(2,3-dihydro-1H-inden-5-yl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-amine;N-[3-(1H-indazol-5-ylmethyl)-1,2,4-triazin-5-yl]-1,3,4-oxadiazol-2-amine;N-[2-(3-methoxyphenoxy)quinazolin-4-yl]-1,3,4-thiadiazol-2-amine;N-(6-methoxy-3-phenyl-1,2,4-triazin-5-yl)-4-methyl-1,3-thiazol-5-amine;N-[4-[[6-methyl-5-(1,3,4-thiadiazol-2-ylamino)-1,2,4-triazin-3-yl]oxy]phenyl]acetamide;N-[2-(3-phenylpropyl)quinazolin-4-yl]-1,3-oxazol-5-amine
• SMILES: CC(=O)Nc1ccc(Oc2nnc(C)c(Nc3nncs3)n2)cc1.COc1cccc(Oc2nc(Nc3nncs3)c3ccccc3n2)c1.COc1nnc(-c2ccccc2)nc1Nc1scnc1C.c1cc(Nc2nnco2)nc(-c2ccc3c(c2)CCC3)n1.c1ccc(CCCc2nc(Nc3cnco3)c3ccccc3n2)cc1.c1nnc(Nc2cnnc(Cc3ccc4[nH]ncc4c3)n2)o1
• InChI: InChI=1S/C20H18N4O.C17H13N5O2S.C15H13N5O.C14H13N7O2S.C14H13N5OS.C13H10N8O/c1-2-7-15(8-3-1)9-6-12-18-22-17-11-5-4-10-16(17)20(23-18)24-19-13-21-14-25-19;1-23-11-5-4-6-12(9-11)24-16-19-14-8-3-2-7-13(14)15(20-16)21-17-22-18-10-25-17;1-2-10-4-5-12(8-11(10)3-1)14-16-7-6-13(18-14)19-15-20-17-9-21-15;1-8-12(18-14-21-15-7-24-14)17-13(20-19-8)23-11-5-3-10(4-6-11)16-9(2)22;1-9-14(21-8-15-9)17-12-13(20-2)19-18-11(16-12)10-6-4-3-5-7-10;1-2-10-9(5-14-19-10)3-8(1)4-11-17-12(6-15-20-11)18-13-21-16-7-22-13/h1-5,7-8,10-11,13-14H,6,9,12H2,(H,22,23,24);2-10H,1H3,(H,19,20,21,22);4-9H,1-3H2,(H,16,18,19,20);3-7H,1-2H3,(H,16,22)(H,17,18,20,21);3-8H,1-2H3,(H,16,17,18);1-3,5-7H,4H2,(H,14,19)(H,17,18,20,21)
• InChIKey: HXKGWVJGUODARO-UHFFFAOYSA-N
• XLogP: 18.37
• TPSA: 528.55 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 43
• Rotatable Bonds: 27
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1898.09
LogP ≤ 5	18.37
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1H-inden-5-yl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-amine;N-[3-(1H-indazol-5-ylmethyl)-1,2,4-triazin-5-yl]-1,3,4-oxadiazol-2-amine;N-[2-(3-methoxyphenoxy)quinazolin-4-yl]-1,3,4-thiadiazol-2-amine;N-(6-methoxy-3-phenyl-1,2,4-triazin-5-yl)-4-methyl-1,3-thiazol-5-amine;N-[4-[[6-methyl-5-(1,3,4-thiadiazol-2-ylamino)-1,2,4-triazin-3-yl]oxy]phenyl]acetamide;N-[2-(3-phenylpropyl)quinazolin-4-yl]-1,3-oxazol-5-amine?

The IUPAC name of N-[2-(2,3-dihydro-1H-inden-5-yl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-amine;N-[3-(1H-indazol-5-ylmethyl)-1,2,4-triazin-5-yl]-1,3,4-oxadiazol-2-amine;N-[2-(3-methoxyphenoxy)quinazolin-4-yl]-1,3,4-thiadiazol-2-amine;N-(6-methoxy-3-phenyl-1,2,4-triazin-5-yl)-4-methyl-1,3-thiazol-5-amine;N-[4-[[6-methyl-5-(1,3,4-thiadiazol-2-ylamino)-1,2,4-triazin-3-yl]oxy]phenyl]acetamide;N-[2-(3-phenylpropyl)quinazolin-4-yl]-1,3-oxazol-5-amine (CID 158616113) is N-[2-(2,3-dihydro-1H-inden-5-yl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-amine;N-[3-(1H-indazol-5-ylmethyl)-1,2,4-triazin-5-yl]-1,3,4-oxadiazol-2-amine;N-[2-(3-methoxyphenoxy)quinazolin-4-yl]-1,3,4-thiadiazol-2-amine;N-(6-methoxy-3-phenyl-1,2,4-triazin-5-yl)-4-methyl-1,3-thiazol-5-amine;N-[4-[[6-methyl-5-(1,3,4-thiadiazol-2-ylamino)-1,2,4-triazin-3-yl]oxy]phenyl]acetamide;N-[2-(3-phenylpropyl)quinazolin-4-yl]-1,3-oxazol-5-amine.

What is the SMILES notation for N-[2-(2,3-dihydro-1H-inden-5-yl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-amine;N-[3-(1H-indazol-5-ylmethyl)-1,2,4-triazin-5-yl]-1,3,4-oxadiazol-2-amine;N-[2-(3-methoxyphenoxy)quinazolin-4-yl]-1,3,4-thiadiazol-2-amine;N-(6-methoxy-3-phenyl-1,2,4-triazin-5-yl)-4-methyl-1,3-thiazol-5-amine;N-[4-[[6-methyl-5-(1,3,4-thiadiazol-2-ylamino)-1,2,4-triazin-3-yl]oxy]phenyl]acetamide;N-[2-(3-phenylpropyl)quinazolin-4-yl]-1,3-oxazol-5-amine?

The canonical SMILES for N-[2-(2,3-dihydro-1H-inden-5-yl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-amine;N-[3-(1H-indazol-5-ylmethyl)-1,2,4-triazin-5-yl]-1,3,4-oxadiazol-2-amine;N-[2-(3-methoxyphenoxy)quinazolin-4-yl]-1,3,4-thiadiazol-2-amine;N-(6-methoxy-3-phenyl-1,2,4-triazin-5-yl)-4-methyl-1,3-thiazol-5-amine;N-[4-[[6-methyl-5-(1,3,4-thiadiazol-2-ylamino)-1,2,4-triazin-3-yl]oxy]phenyl]acetamide;N-[2-(3-phenylpropyl)quinazolin-4-yl]-1,3-oxazol-5-amine is CC(=O)Nc1ccc(Oc2nnc(C)c(Nc3nncs3)n2)cc1.COc1cccc(Oc2nc(Nc3nncs3)c3ccccc3n2)c1.COc1nnc(-c2ccccc2)nc1Nc1scnc1C.c1cc(Nc2nnco2)nc(-c2ccc3c(c2)CCC3)n1.c1ccc(CCCc2nc(Nc3cnco3)c3ccccc3n2)cc1.c1nnc(Nc2cnnc(Cc3ccc4[nH]ncc4c3)n2)o1.

What is the InChIKey of N-[2-(2,3-dihydro-1H-inden-5-yl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-amine;N-[3-(1H-indazol-5-ylmethyl)-1,2,4-triazin-5-yl]-1,3,4-oxadiazol-2-amine;N-[2-(3-methoxyphenoxy)quinazolin-4-yl]-1,3,4-thiadiazol-2-amine;N-(6-methoxy-3-phenyl-1,2,4-triazin-5-yl)-4-methyl-1,3-thiazol-5-amine;N-[4-[[6-methyl-5-(1,3,4-thiadiazol-2-ylamino)-1,2,4-triazin-3-yl]oxy]phenyl]acetamide;N-[2-(3-phenylpropyl)quinazolin-4-yl]-1,3-oxazol-5-amine?

The InChIKey is HXKGWVJGUODARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O.C17H13N5O2S.C15H13N5O.C14H13N7O2S.C14H13N5OS.C13H10N8O/c1-2-7-15(8-3-1)9-6-12-18-22-17-11-5-4-10-16(17)20(23-18)24-19-13-21-14-25-19;1-23-11-5-4-6-12(9-11)24-16-19-14-8-3-2-7-13(14)15(20-16)21-17-22-18-10-25-17;1-2-10-4-5-12(8-11(10)3-1)14-16-7-6-13(18-14)19-15-20-17-9-21-15;1-8-12(18-14-21-15-7-24-14)17-13(20-19-8)23-11-5-3-10(4-6-11)16-9(2)22;1-9-14(21-8-15-9)17-12-13(20-2)19-18-11(16-12)10-6-4-3-5-7-10;1-2-10-9(5-14-19-10)3-8(1)4-11-17-12(6-15-20-11)18-13-21-16-7-22-13/h1-5,7-8,10-11,13-14H,6,9,12H2,(H,22,23,24);2-10H,1H3,(H,19,20,21,22);4-9H,1-3H2,(H,16,18,19,20);3-7H,1-2H3,(H,16,22)(H,17,18,20,21);3-8H,1-2H3,(H,16,17,18);1-3,5-7H,4H2,(H,14,19)(H,17,18,20,21).

What are the key properties of N-[2-(2,3-dihydro-1H-inden-5-yl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-amine;N-[3-(1H-indazol-5-ylmethyl)-1,2,4-triazin-5-yl]-1,3,4-oxadiazol-2-amine;N-[2-(3-methoxyphenoxy)quinazolin-4-yl]-1,3,4-thiadiazol-2-amine;N-(6-methoxy-3-phenyl-1,2,4-triazin-5-yl)-4-methyl-1,3-thiazol-5-amine;N-[4-[[6-methyl-5-(1,3,4-thiadiazol-2-ylamino)-1,2,4-triazin-3-yl]oxy]phenyl]acetamide;N-[2-(3-phenylpropyl)quinazolin-4-yl]-1,3-oxazol-5-amine?

N-[2-(2,3-dihydro-1H-inden-5-yl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-amine;N-[3-(1H-indazol-5-ylmethyl)-1,2,4-triazin-5-yl]-1,3,4-oxadiazol-2-amine;N-[2-(3-methoxyphenoxy)quinazolin-4-yl]-1,3,4-thiadiazol-2-amine;N-(6-methoxy-3-phenyl-1,2,4-triazin-5-yl)-4-methyl-1,3-thiazol-5-amine;N-[4-[[6-methyl-5-(1,3,4-thiadiazol-2-ylamino)-1,2,4-triazin-3-yl]oxy]phenyl]acetamide;N-[2-(3-phenylpropyl)quinazolin-4-yl]-1,3-oxazol-5-amine has a molecular weight of 1898.09 g/mol, XLogP of 18.37, 27 rotatable bonds, 8 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2,3-dihydro-1H-inden-5-yl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-amine;N-[3-(1H-indazol-5-ylmethyl)-1,2,4-triazin-5-yl]-1,3,4-oxadiazol-2-amine;N-[2-(3-methoxyphenoxy)quinazolin-4-yl]-1,3,4-thiadiazol-2-amine;N-(6-methoxy-3-phenyl-1,2,4-triazin-5-yl)-4-methyl-1,3-thiazol-5-amine;N-[4-[[6-methyl-5-(1,3,4-thiadiazol-2-ylamino)-1,2,4-triazin-3-yl]oxy]phenyl]acetamide;N-[2-(3-phenylpropyl)quinazolin-4-yl]-1,3-oxazol-5-amine is sourced from PubChem (CID 158616113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).