5-chloro-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-benzofuran-2-carboxamide

C14H12ClN3O3 — CID 94806137

IUPAC5-chloro-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-benzofuran-2-carboxamide
SMILESCc1noc([C@H](C)NC(=O)c2cc3cc(Cl)ccc3o2)n1
InChIInChI=1S/C14H12ClN3O3/c1-7(14-17-8(2)18-21-14)16-13(19)12-6-9-5-10(15)3-4-11(9)20-12/h3-7H,1-2H3,(H,16,19)/t7-/m0/s1
InChIKeyMXOGUVRXHKYKQW-ZETCQYMHSA-N
MW305.72 g/mol
LogP3.27
Rot. Bonds3

About 5-chloro-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-benzofuran-2-carboxamide

5-chloro-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-benzofuran-2-carboxamide (PubChem CID 94806137) has the molecular formula C14H12ClN3O3 and a molecular weight of 305.72 g/mol. Its IUPAC name is 5-chloro-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-benzofuran-2-carboxamide
PubChem CID94806137
Molecular FormulaC14H12ClN3O3
Molecular Weight305.72 g/mol
Exact Mass305.06
IUPAC Name5-chloro-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-benzofuran-2-carboxamide
SMILESCc1noc([C@H](C)NC(=O)c2cc3cc(Cl)ccc3o2)n1
InChIInChI=1S/C14H12ClN3O3/c1-7(14-17-8(2)18-21-14)16-13(19)12-6-9-5-10(15)3-4-11(9)20-12/h3-7H,1-2H3,(H,16,19)/t7-/m0/s1
InChIKeyMXOGUVRXHKYKQW-ZETCQYMHSA-N
XLogP3.27
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-chloro-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

N-[1-(4-carbamoylphenyl)ethyl]-5-chloro-1-benzofuran-2-carboxamide
CID 177139933
methyl 2-[(5-chloro-1-benzofuran-2-carbonyl)amino]-3-methylbutanoate
CID 86910334
ethyl 3-[(5-chloro-1-benzofuran-2-carbonyl)amino]butanoate
CID 86813424
2-(2,4-dichlorophenoxy)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 60606511
2-(2,5-dichlorophenoxy)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 94820566
N-tert-butyl-5-chloro-1-benzofuran-2-carboxamide
CID 19240925
5-chloro-N-(4-chloro-2-methylphenyl)-1-benzofuran-2-carboxamide
CID 9138973
2,4-dimethyl-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 94789301
6-chloro-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-dihydroquinoline-2-carboxamide
CID 144935472
5-chloro-N-(3,5-dichlorophenyl)-1-benzofuran-2-carboxamide
CID 19240955
2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-3-carboxamide
CID 146083478
1-(3-chlorophenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclopentane-1-carboxamide
CID 95049720

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-benzofuran-2-carboxamide (CID 94806137) is 5-chloro-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-benzofuran-2-carboxamide is Cc1noc([C@H](C)NC(=O)c2cc3cc(Cl)ccc3o2)n1.
What is the InChIKey of 5-chloro-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-benzofuran-2-carboxamide?
The InChIKey is MXOGUVRXHKYKQW-ZETCQYMHSA-N. The full InChI is InChI=1S/C14H12ClN3O3/c1-7(14-17-8(2)18-21-14)16-13(19)12-6-9-5-10(15)3-4-11(9)20-12/h3-7H,1-2H3,(H,16,19)/t7-/m0/s1.
What are the key properties of 5-chloro-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-benzofuran-2-carboxamide?
5-chloro-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 305.72 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 94806137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).