N-(cyclopropylcarbamoyl)-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;ethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;methyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;propan-2-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate

C73H57F4N13O15 — CID 162002066

IUPACN-(cyclopropylcarbamoyl)-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;ethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;methyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;propan-2-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate
SMILESCC(C)OC(=O)NC(=O)c1cccc(-c2noc(-c3ccccc3F)n2)c1.CCOC(=O)NC(=O)c1cccc(-c2noc(-c3ccccc3F)n2)c1.COC(=O)NC(=O)c1cccc(-c2noc(-c3ccccc3F)n2)c1.O=C(NC(=O)c1cccc(-c2noc(-c3ccccc3F)n2)c1)NC1CC1
InChIInChI=1S/C19H15FN4O3.C19H16FN3O4.C18H14FN3O4.C17H12FN3O4/c20-15-7-2-1-6-14(15)18-22-16(24-27-18)11-4-3-5-12(10-11)17(25)23-19(26)21-13-8-9-13;1-11(2)26-19(25)22-17(24)13-7-5-6-12(10-13)16-21-18(27-23-16)14-8-3-4-9-15(14)20;1-2-25-18(24)21-16(23)12-7-5-6-11(10-12)15-20-17(26-22-15)13-8-3-4-9-14(13)19;1-24-17(23)20-15(22)11-6-4-5-10(9-11)14-19-16(25-21-14)12-7-2-3-8-13(12)18/h1-7,10,13H,8-9H2,(H2,21,23,25,26);3-11H,1-2H3,(H,22,24,25);3-10H,2H2,1H3,(H,21,23,24);2-9H,1H3,(H,20,22,23)
InChIKeyYSIQWTLXWBOANQ-UHFFFAOYSA-N
MW1432.33 g/mol
LogP13.43
Rot. Bonds15

About N-(cyclopropylcarbamoyl)-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;ethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;methyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;propan-2-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate

N-(cyclopropylcarbamoyl)-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;ethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;methyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;propan-2-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate (PubChem CID 162002066) has the molecular formula C73H57F4N13O15 and a molecular weight of 1432.33 g/mol. Its IUPAC name is N-(cyclopropylcarbamoyl)-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;ethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;methyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;propan-2-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate.

Molecular Properties

Compound NameN-(cyclopropylcarbamoyl)-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;ethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;methyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;propan-2-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate
PubChem CID162002066
Molecular FormulaC73H57F4N13O15
Molecular Weight1432.33 g/mol
Exact Mass1431.40
IUPAC NameN-(cyclopropylcarbamoyl)-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;ethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;methyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;propan-2-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate
SMILESCC(C)OC(=O)NC(=O)c1cccc(-c2noc(-c3ccccc3F)n2)c1.CCOC(=O)NC(=O)c1cccc(-c2noc(-c3ccccc3F)n2)c1.COC(=O)NC(=O)c1cccc(-c2noc(-c3ccccc3F)n2)c1.O=C(NC(=O)c1cccc(-c2noc(-c3ccccc3F)n2)c1)NC1CC1
InChIInChI=1S/C19H15FN4O3.C19H16FN3O4.C18H14FN3O4.C17H12FN3O4/c20-15-7-2-1-6-14(15)18-22-16(24-27-18)11-4-3-5-12(10-11)17(25)23-19(26)21-13-8-9-13;1-11(2)26-19(25)22-17(24)13-7-5-6-12(10-13)16-21-18(27-23-16)14-8-3-4-9-15(14)20;1-2-25-18(24)21-16(23)12-7-5-6-11(10-12)15-20-17(26-22-15)13-8-3-4-9-14(13)19;1-24-17(23)20-15(22)11-6-4-5-10(9-11)14-19-16(25-21-14)12-7-2-3-8-13(12)18/h1-7,10,13H,8-9H2,(H2,21,23,25,26);3-11H,1-2H3,(H,22,24,25);3-10H,2H2,1H3,(H,21,23,24);2-9H,1H3,(H,20,22,23)
InChIKeyYSIQWTLXWBOANQ-UHFFFAOYSA-N
XLogP13.43
TPSA380.08 Ų
H-Bond Donors5
H-Bond Acceptors23
Rotatable Bonds15
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001432.33
LogP ≤ 513.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze N-(cyclopropylcarbamoyl)-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;ethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;methyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;propan-2-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylcarbamoyl)-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;ethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;methyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;propan-2-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate?
The IUPAC name of N-(cyclopropylcarbamoyl)-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;ethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;methyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;propan-2-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate (CID 162002066) is N-(cyclopropylcarbamoyl)-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;ethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;methyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;propan-2-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate.
What is the SMILES notation for N-(cyclopropylcarbamoyl)-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;ethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;methyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;propan-2-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate?
The canonical SMILES for N-(cyclopropylcarbamoyl)-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;ethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;methyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;propan-2-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate is CC(C)OC(=O)NC(=O)c1cccc(-c2noc(-c3ccccc3F)n2)c1.CCOC(=O)NC(=O)c1cccc(-c2noc(-c3ccccc3F)n2)c1.COC(=O)NC(=O)c1cccc(-c2noc(-c3ccccc3F)n2)c1.O=C(NC(=O)c1cccc(-c2noc(-c3ccccc3F)n2)c1)NC1CC1.
What is the InChIKey of N-(cyclopropylcarbamoyl)-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;ethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;methyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;propan-2-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate?
The InChIKey is YSIQWTLXWBOANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O3.C19H16FN3O4.C18H14FN3O4.C17H12FN3O4/c20-15-7-2-1-6-14(15)18-22-16(24-27-18)11-4-3-5-12(10-11)17(25)23-19(26)21-13-8-9-13;1-11(2)26-19(25)22-17(24)13-7-5-6-12(10-13)16-21-18(27-23-16)14-8-3-4-9-15(14)20;1-2-25-18(24)21-16(23)12-7-5-6-11(10-12)15-20-17(26-22-15)13-8-3-4-9-14(13)19;1-24-17(23)20-15(22)11-6-4-5-10(9-11)14-19-16(25-21-14)12-7-2-3-8-13(12)18/h1-7,10,13H,8-9H2,(H2,21,23,25,26);3-11H,1-2H3,(H,22,24,25);3-10H,2H2,1H3,(H,21,23,24);2-9H,1H3,(H,20,22,23).
What are the key properties of N-(cyclopropylcarbamoyl)-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;ethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;methyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;propan-2-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate?
N-(cyclopropylcarbamoyl)-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;ethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;methyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;propan-2-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate has a molecular weight of 1432.33 g/mol, XLogP of 13.43, 15 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylcarbamoyl)-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;ethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;methyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;propan-2-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate is sourced from PubChem (CID 162002066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).