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

C20H17N3O3 — CID 22058487

IUPACN-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-1-methylindole-2-carboxamide
SMILESCOc1cc(NC(=O)c2cc3ccccc3n2C)ccc1-c1cnco1
InChIInChI=1S/C20H17N3O3/c1-23-16-6-4-3-5-13(16)9-17(23)20(24)22-14-7-8-15(18(10-14)25-2)19-11-21-12-26-19/h3-12H,1-2H3,(H,22,24)
InChIKeyXSTWWIWQCLWSIH-UHFFFAOYSA-N
MW347.37 g/mol
LogP4.09
Rot. Bonds4

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

N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-1-methylindole-2-carboxamide (PubChem CID 22058487) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-1-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-1-methylindole-2-carboxamide
PubChem CID22058487
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC NameN-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-1-methylindole-2-carboxamide
SMILESCOc1cc(NC(=O)c2cc3ccccc3n2C)ccc1-c1cnco1
InChIInChI=1S/C20H17N3O3/c1-23-16-6-4-3-5-13(16)9-17(23)20(24)22-14-7-8-15(18(10-14)25-2)19-11-21-12-26-19/h3-12H,1-2H3,(H,22,24)
InChIKeyXSTWWIWQCLWSIH-UHFFFAOYSA-N
XLogP4.09
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-1-methylindole-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]-1-methylindole-2-carboxamide?
The IUPAC name of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-1-methylindole-2-carboxamide (CID 22058487) is N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-1-methylindole-2-carboxamide.
What is the SMILES notation for N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-1-methylindole-2-carboxamide?
The canonical SMILES for N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-1-methylindole-2-carboxamide is COc1cc(NC(=O)c2cc3ccccc3n2C)ccc1-c1cnco1.
What is the InChIKey of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-1-methylindole-2-carboxamide?
The InChIKey is XSTWWIWQCLWSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-23-16-6-4-3-5-13(16)9-17(23)20(24)22-14-7-8-15(18(10-14)25-2)19-11-21-12-26-19/h3-12H,1-2H3,(H,22,24).
What are the key properties of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-1-methylindole-2-carboxamide?
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-1-methylindole-2-carboxamide has a molecular weight of 347.37 g/mol, XLogP of 4.09, 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]-1-methylindole-2-carboxamide is sourced from PubChem (CID 22058487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).