N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide

C22H20N2O2S — CID 15987519

IUPACN-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide
SMILESCc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1cccs1
InChIInChI=1S/C22H20N2O2S/c1-13(2)15-8-9-19-18(11-15)24-22(26-19)16-7-6-14(3)17(12-16)23-21(25)20-5-4-10-27-20/h4-13H,1-3H3,(H,23,25)
InChIKeyIDSOXAQJFPSJOP-UHFFFAOYSA-N
MW376.48 g/mol
LogP6.24
Rot. Bonds4

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

N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide (PubChem CID 15987519) has the molecular formula C22H20N2O2S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide
PubChem CID15987519
Molecular FormulaC22H20N2O2S
Molecular Weight376.48 g/mol
Exact Mass376.12
IUPAC NameN-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide
SMILESCc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1cccs1
InChIInChI=1S/C22H20N2O2S/c1-13(2)15-8-9-19-18(11-15)24-22(26-19)16-7-6-14(3)17(12-16)23-21(25)20-5-4-10-27-20/h4-13H,1-3H3,(H,23,25)
InChIKeyIDSOXAQJFPSJOP-UHFFFAOYSA-N
XLogP6.24
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.48
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]thiophene-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-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide (CID 15987519) is N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide is Cc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1cccs1.
What is the InChIKey of N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is IDSOXAQJFPSJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2S/c1-13(2)15-8-9-19-18(11-15)24-22(26-19)16-7-6-14(3)17(12-16)23-21(25)20-5-4-10-27-20/h4-13H,1-3H3,(H,23,25).
What are the key properties of N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide?
N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide has a molecular weight of 376.48 g/mol, XLogP of 6.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 15987519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).