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

C16H12ClN3O3S — CID 51127202

IUPAC5-chloro-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NCc1nc(-c2cccs2)no1)C1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C16H12ClN3O3S/c17-10-3-4-11-9(6-10)7-12(22-11)16(21)18-8-14-19-15(20-23-14)13-2-1-5-24-13/h1-6,12H,7-8H2,(H,18,21)
InChIKeyLNANNIMUHGPWER-UHFFFAOYSA-N
MW361.81 g/mol
LogP3.07
Rot. Bonds4

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

5-chloro-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 51127202) has the molecular formula C16H12ClN3O3S and a molecular weight of 361.81 g/mol. Its IUPAC name is 5-chloro-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID51127202
Molecular FormulaC16H12ClN3O3S
Molecular Weight361.81 g/mol
Exact Mass361.03
IUPAC Name5-chloro-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NCc1nc(-c2cccs2)no1)C1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C16H12ClN3O3S/c17-10-3-4-11-9(6-10)7-12(22-11)16(21)18-8-14-19-15(20-23-14)13-2-1-5-24-13/h1-6,12H,7-8H2,(H,18,21)
InChIKeyLNANNIMUHGPWER-UHFFFAOYSA-N
XLogP3.07
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.81
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexanecarboxamide
CID 110293437
5-methylsulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide
CID 132670082
(2R,3R)-2-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 52524866
3-bromo-5-chloro-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 110632140
2-chloro-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 93173363
4-(4-chlorophenyl)sulfanyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide
CID 50874930
(2R)-5-chloro-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 8006574
2-chloro-5-methylsulfanyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 51127210
2,3,4-trifluoro-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 110293449
2-chloro-4-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 27262020
1-methylsulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 50947861
6-chloro-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide
CID 71883745

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 51127202) is 5-chloro-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(NCc1nc(-c2cccs2)no1)C1Cc2cc(Cl)ccc2O1.
What is the InChIKey of 5-chloro-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is LNANNIMUHGPWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O3S/c17-10-3-4-11-9(6-10)7-12(22-11)16(21)18-8-14-19-15(20-23-14)13-2-1-5-24-13/h1-6,12H,7-8H2,(H,18,21).
What are the key properties of 5-chloro-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
5-chloro-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 361.81 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 51127202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).