N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide

C19H14N2O2S — CID 877897

IUPACN-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide
SMILESCc1ccc2oc(-c3ccc(NC(=O)c4cccs4)cc3)nc2c1
InChIInChI=1S/C19H14N2O2S/c1-12-4-9-16-15(11-12)21-19(23-16)13-5-7-14(8-6-13)20-18(22)17-3-2-10-24-17/h2-11H,1H3,(H,20,22)
InChIKeyRQANUWLMDYLPNW-UHFFFAOYSA-N
MW334.40 g/mol
LogP5.12
Rot. Bonds3

About N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide

N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide (PubChem CID 877897) has the molecular formula C19H14N2O2S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide
PubChem CID877897
Molecular FormulaC19H14N2O2S
Molecular Weight334.40 g/mol
Exact Mass334.08
IUPAC NameN-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide
SMILESCc1ccc2oc(-c3ccc(NC(=O)c4cccs4)cc3)nc2c1
InChIInChI=1S/C19H14N2O2S/c1-12-4-9-16-15(11-12)21-19(23-16)13-5-7-14(8-6-13)20-18(22)17-3-2-10-24-17/h2-11H,1H3,(H,20,22)
InChIKeyRQANUWLMDYLPNW-UHFFFAOYSA-N
XLogP5.12
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.40
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 292429
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3-(5-Methyl-1,3-benzoxazol-2-YL)phenylamine
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CID 735943
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CID 772857
N-(p-(2-Benzoxazolyl)phenyl)maleimide
CID 85555
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1-(thiophene-2-sulfonyl)piperidine-4-carboxamide
CID 25188505
N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 3115982

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide (CID 877897) is N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide is Cc1ccc2oc(-c3ccc(NC(=O)c4cccs4)cc3)nc2c1.
What is the InChIKey of N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is RQANUWLMDYLPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2S/c1-12-4-9-16-15(11-12)21-19(23-16)13-5-7-14(8-6-13)20-18(22)17-3-2-10-24-17/h2-11H,1H3,(H,20,22).
What are the key properties of N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide?
N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide has a molecular weight of 334.40 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 877897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).