N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-methylthiophene-2-carboxamide

C16H14N2O3S — CID 22058533

IUPACN-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-methylthiophene-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(C)s2)ccc1-c1cnco1
InChIInChI=1S/C16H14N2O3S/c1-10-3-6-15(22-10)16(19)18-11-4-5-12(13(7-11)20-2)14-8-17-9-21-14/h3-9H,1-2H3,(H,18,19)
InChIKeyUWXLIUQSJUSEHC-UHFFFAOYSA-N
MW314.37 g/mol
LogP3.97
Rot. Bonds4

About N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-methylthiophene-2-carboxamide

N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-methylthiophene-2-carboxamide (PubChem CID 22058533) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-methylthiophene-2-carboxamide
PubChem CID22058533
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC NameN-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-methylthiophene-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(C)s2)ccc1-c1cnco1
InChIInChI=1S/C16H14N2O3S/c1-10-3-6-15(22-10)16(19)18-11-4-5-12(13(7-11)20-2)14-8-17-9-21-14/h3-9H,1-2H3,(H,18,19)
InChIKeyUWXLIUQSJUSEHC-UHFFFAOYSA-N
XLogP3.97
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-methylthiophene-2-carboxamide (CID 22058533) is N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-methylthiophene-2-carboxamide is COc1cc(NC(=O)c2ccc(C)s2)ccc1-c1cnco1.
What is the InChIKey of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-methylthiophene-2-carboxamide?
The InChIKey is UWXLIUQSJUSEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S/c1-10-3-6-15(22-10)16(19)18-11-4-5-12(13(7-11)20-2)14-8-17-9-21-14/h3-9H,1-2H3,(H,18,19).
What are the key properties of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-methylthiophene-2-carboxamide?
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-methylthiophene-2-carboxamide has a molecular weight of 314.37 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 22058533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).