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

C20H15N3O3S — CID 22058536

IUPACN-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-pyridin-2-ylthiophene-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(-c3ccccn3)s2)ccc1-c1cnco1
InChIInChI=1S/C20H15N3O3S/c1-25-16-10-13(5-6-14(16)17-11-21-12-26-17)23-20(24)19-8-7-18(27-19)15-4-2-3-9-22-15/h2-12H,1H3,(H,23,24)
InChIKeyPTJAGPDLINXJMX-UHFFFAOYSA-N
MW377.43 g/mol
LogP4.73
Rot. Bonds5

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

N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-pyridin-2-ylthiophene-2-carboxamide (PubChem CID 22058536) has the molecular formula C20H15N3O3S and a molecular weight of 377.43 g/mol. Its IUPAC name is N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-pyridin-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-pyridin-2-ylthiophene-2-carboxamide
PubChem CID22058536
Molecular FormulaC20H15N3O3S
Molecular Weight377.43 g/mol
Exact Mass377.08
IUPAC NameN-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-pyridin-2-ylthiophene-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(-c3ccccn3)s2)ccc1-c1cnco1
InChIInChI=1S/C20H15N3O3S/c1-25-16-10-13(5-6-14(16)17-11-21-12-26-17)23-20(24)19-8-7-18(27-19)15-4-2-3-9-22-15/h2-12H,1H3,(H,23,24)
InChIKeyPTJAGPDLINXJMX-UHFFFAOYSA-N
XLogP4.73
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-pyridin-2-ylthiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-pyridin-2-ylthiophene-2-carboxamide?
The IUPAC name of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-pyridin-2-ylthiophene-2-carboxamide (CID 22058536) is N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-pyridin-2-ylthiophene-2-carboxamide.
What is the SMILES notation for N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-pyridin-2-ylthiophene-2-carboxamide?
The canonical SMILES for N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-pyridin-2-ylthiophene-2-carboxamide is COc1cc(NC(=O)c2ccc(-c3ccccn3)s2)ccc1-c1cnco1.
What is the InChIKey of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-pyridin-2-ylthiophene-2-carboxamide?
The InChIKey is PTJAGPDLINXJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3S/c1-25-16-10-13(5-6-14(16)17-11-21-12-26-17)23-20(24)19-8-7-18(27-19)15-4-2-3-9-22-15/h2-12H,1H3,(H,23,24).
What are the key properties of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-pyridin-2-ylthiophene-2-carboxamide?
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-pyridin-2-ylthiophene-2-carboxamide has a molecular weight of 377.43 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-pyridin-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 22058536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).