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

C19H14N2O3S — CID 17092611

IUPACN-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]thiophene-2-carboxamide
SMILESCOc1cccc(-c2nc3cc(NC(=O)c4cccs4)ccc3o2)c1
InChIInChI=1S/C19H14N2O3S/c1-23-14-5-2-4-12(10-14)19-21-15-11-13(7-8-16(15)24-19)20-18(22)17-6-3-9-25-17/h2-11H,1H3,(H,20,22)
InChIKeyGROSQMOMAFJQGT-UHFFFAOYSA-N
MW350.40 g/mol
LogP4.82
Rot. Bonds4

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

N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]thiophene-2-carboxamide (PubChem CID 17092611) has the molecular formula C19H14N2O3S and a molecular weight of 350.40 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]thiophene-2-carboxamide
PubChem CID17092611
Molecular FormulaC19H14N2O3S
Molecular Weight350.40 g/mol
Exact Mass350.07
IUPAC NameN-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]thiophene-2-carboxamide
SMILESCOc1cccc(-c2nc3cc(NC(=O)c4cccs4)ccc3o2)c1
InChIInChI=1S/C19H14N2O3S/c1-23-14-5-2-4-12(10-14)19-21-15-11-13(7-8-16(15)24-19)20-18(22)17-6-3-9-25-17/h2-11H,1H3,(H,20,22)
InChIKeyGROSQMOMAFJQGT-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-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide
CID 881581
N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]thiophene-2-carboxamide
CID 2279249
N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-5-phenylfuran-2-carboxamide
CID 17092650
N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]thiophene-2-carboxamide
CID 3013323
N-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl]thiophene-2-carboxamide
CID 3013324
5-chloro-2-methoxy-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 17092589
2-(4-methoxyphenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 17092669
N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
CID 5050382
N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-2-phenoxyacetamide
CID 17092656
N-[[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]propanamide
CID 1344727
2-chloro-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-5-nitrobenzamide
CID 17092603
4-butan-2-yloxy-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 17092655

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]thiophene-2-carboxamide (CID 17092611) is N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]thiophene-2-carboxamide is COc1cccc(-c2nc3cc(NC(=O)c4cccs4)ccc3o2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]thiophene-2-carboxamide?
The InChIKey is GROSQMOMAFJQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3S/c1-23-14-5-2-4-12(10-14)19-21-15-11-13(7-8-16(15)24-19)20-18(22)17-6-3-9-25-17/h2-11H,1H3,(H,20,22).
What are the key properties of N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]thiophene-2-carboxamide?
N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]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-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]thiophene-2-carboxamide is sourced from PubChem (CID 17092611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).