N-[2-[(2-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]thiophene-2-carboxamide

C19H13ClN2O2S — CID 83289549

IUPACN-[2-[(2-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc2oc(Cc3ccccc3Cl)nc2c1)c1cccs1
InChIInChI=1S/C19H13ClN2O2S/c20-14-5-2-1-4-12(14)10-18-22-15-11-13(7-8-16(15)24-18)21-19(23)17-6-3-9-25-17/h1-9,11H,10H2,(H,21,23)
InChIKeySOPXQLIOAAVQTP-UHFFFAOYSA-N
MW368.85 g/mol
LogP5.39
Rot. Bonds4

About N-[2-[(2-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]thiophene-2-carboxamide

N-[2-[(2-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]thiophene-2-carboxamide (PubChem CID 83289549) has the molecular formula C19H13ClN2O2S and a molecular weight of 368.85 g/mol. Its IUPAC name is N-[2-[(2-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]thiophene-2-carboxamide
PubChem CID83289549
Molecular FormulaC19H13ClN2O2S
Molecular Weight368.85 g/mol
Exact Mass368.04
IUPAC NameN-[2-[(2-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc2oc(Cc3ccccc3Cl)nc2c1)c1cccs1
InChIInChI=1S/C19H13ClN2O2S/c20-14-5-2-1-4-12(14)10-18-22-15-11-13(7-8-16(15)24-18)21-19(23)17-6-3-9-25-17/h1-9,11H,10H2,(H,21,23)
InChIKeySOPXQLIOAAVQTP-UHFFFAOYSA-N
XLogP5.39
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.85
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dichloro-N-[2-[(2-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]benzamide
CID 83289547
N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]thiophene-2-carboxamide
CID 2279249
N-(2-benzyl-1,3-benzoxazol-5-yl)-5-(2-chlorophenyl)furan-2-carboxamide
CID 17163223
N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]thiophene-2-carboxamide
CID 3013323
N-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]-2-phenylacetamide
CID 3013306
N-(2-benzyl-1,3-benzoxazol-5-yl)-3,5-dichloro-2-methoxybenzamide
CID 17163170
N-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl]thiophene-2-carboxamide
CID 3013324
N-(2-benzyl-1,3-benzoxazol-5-yl)-2-chloro-4-nitrobenzamide
CID 17163184
N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]thiophene-2-carboxamide
CID 17092611
N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]thiophene-2-carboxamide
CID 113027177
N-(2,3-dimethylquinoxalin-6-yl)thiophene-2-carboxamide
CID 110723801
N-[4-[(2-methyl-1,3-benzoxazol-5-yl)amino]-4-oxobutyl]thiophene-2-carboxamide
CID 35626706

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[(2-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]thiophene-2-carboxamide (CID 83289549) is N-[2-[(2-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(2-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[(2-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]thiophene-2-carboxamide is O=C(Nc1ccc2oc(Cc3ccccc3Cl)nc2c1)c1cccs1.
What is the InChIKey of N-[2-[(2-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]thiophene-2-carboxamide?
The InChIKey is SOPXQLIOAAVQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O2S/c20-14-5-2-1-4-12(14)10-18-22-15-11-13(7-8-16(15)24-18)21-19(23)17-6-3-9-25-17/h1-9,11H,10H2,(H,21,23).
What are the key properties of N-[2-[(2-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]thiophene-2-carboxamide?
N-[2-[(2-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]thiophene-2-carboxamide has a molecular weight of 368.85 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]thiophene-2-carboxamide is sourced from PubChem (CID 83289549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).