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

C19H14N2O3S — CID 1495772

IUPACN-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]thiophene-2-carboxamide
SMILESCOc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1cccs1
InChIInChI=1S/C19H14N2O3S/c1-23-15-9-8-12(19-21-13-5-2-3-6-16(13)24-19)11-14(15)20-18(22)17-7-4-10-25-17/h2-11H,1H3,(H,20,22)
InChIKeyZBNKPZPDFIICPW-UHFFFAOYSA-N
MW350.40 g/mol
LogP4.82
Rot. Bonds4

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

N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]thiophene-2-carboxamide (PubChem CID 1495772) has the molecular formula C19H14N2O3S and a molecular weight of 350.40 g/mol. Its IUPAC name is N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]thiophene-2-carboxamide
PubChem CID1495772
Molecular FormulaC19H14N2O3S
Molecular Weight350.40 g/mol
Exact Mass350.07
IUPAC NameN-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]thiophene-2-carboxamide
SMILESCOc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1cccs1
InChIInChI=1S/C19H14N2O3S/c1-23-15-9-8-12(19-21-13-5-2-3-6-16(13)24-19)11-14(15)20-18(22)17-7-4-10-25-17/h2-11H,1H3,(H,20,22)
InChIKeyZBNKPZPDFIICPW-UHFFFAOYSA-N
XLogP4.82
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-methylbenzamide
CID 2995461
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-methoxybenzamide
CID 3161340
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]furan-2-carboxamide
CID 1497032
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-chloro-4-methoxybenzamide
CID 4510569
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]formamide
CID 168653266
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-[(1R)-1-phenylethoxy]benzamide
CID 168787253
N-[[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl]-3-methoxybenzamide
CID 2481063
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-(2-oxochromen-3-yl)benzamide
CID 4682019
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-2-naphthalen-1-yloxyacetamide
CID 1496876
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3,5-difluoro-4-phenylmethoxybenzamide
CID 168787277
N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]thiophene-2-carboxamide
CID 17092611
N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide
CID 15987508

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]thiophene-2-carboxamide?
The IUPAC name of N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]thiophene-2-carboxamide (CID 1495772) is N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]thiophene-2-carboxamide is COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1cccs1.
What is the InChIKey of N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]thiophene-2-carboxamide?
The InChIKey is ZBNKPZPDFIICPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3S/c1-23-15-9-8-12(19-21-13-5-2-3-6-16(13)24-19)11-14(15)20-18(22)17-7-4-10-25-17/h2-11H,1H3,(H,20,22).
What are the key properties of N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]thiophene-2-carboxamide?
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]thiophene-2-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 1495772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).