2-propan-2-yl-N-[4-(pyridin-4-ylmethyl)phenyl]-1,3-benzoxazole-6-carboxamide

C23H21N3O2 — CID 53089491

IUPAC2-propan-2-yl-N-[4-(pyridin-4-ylmethyl)phenyl]-1,3-benzoxazole-6-carboxamide
SMILESCC(C)c1nc2ccc(C(=O)Nc3ccc(Cc4ccncc4)cc3)cc2o1
InChIInChI=1S/C23H21N3O2/c1-15(2)23-26-20-8-5-18(14-21(20)28-23)22(27)25-19-6-3-16(4-7-19)13-17-9-11-24-12-10-17/h3-12,14-15H,13H2,1-2H3,(H,25,27)
InChIKeyLQOFISLFHRMLFA-UHFFFAOYSA-N
MW371.44 g/mol
LogP5.19
Rot. Bonds5

About 2-propan-2-yl-N-[4-(pyridin-4-ylmethyl)phenyl]-1,3-benzoxazole-6-carboxamide

2-propan-2-yl-N-[4-(pyridin-4-ylmethyl)phenyl]-1,3-benzoxazole-6-carboxamide (PubChem CID 53089491) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-propan-2-yl-N-[4-(pyridin-4-ylmethyl)phenyl]-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound Name2-propan-2-yl-N-[4-(pyridin-4-ylmethyl)phenyl]-1,3-benzoxazole-6-carboxamide
PubChem CID53089491
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name2-propan-2-yl-N-[4-(pyridin-4-ylmethyl)phenyl]-1,3-benzoxazole-6-carboxamide
SMILESCC(C)c1nc2ccc(C(=O)Nc3ccc(Cc4ccncc4)cc3)cc2o1
InChIInChI=1S/C23H21N3O2/c1-15(2)23-26-20-8-5-18(14-21(20)28-23)22(27)25-19-6-3-16(4-7-19)13-17-9-11-24-12-10-17/h3-12,14-15H,13H2,1-2H3,(H,25,27)
InChIKeyLQOFISLFHRMLFA-UHFFFAOYSA-N
XLogP5.19
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.44
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-propan-2-yl-N-[4-(pyridin-4-ylmethyl)phenyl]-1,3-benzoxazole-6-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(4-methoxyphenyl)-2-propan-2-yl-1,3-benzoxazole-6-carboxamide
CID 53089495
N-(3-methoxyphenyl)-2-propan-2-yl-1,3-benzoxazole-6-carboxamide
CID 53089494
N-(2-propan-2-yl-1,3-benzoxazol-6-yl)propanamide
CID 53017044
3-acetamido-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46401870
N-[(2R)-4-phenylbutan-2-yl]-2-propan-2-yl-1,3-benzoxazole-6-carboxamide
CID 95074884
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46424589
2-propan-2-yl-N-(pyridin-2-ylmethyl)-1,3-benzoxazole-6-carboxamide
CID 53199043
4-[(2-methylcyclopropanecarbonyl)amino]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46460476
3,5-dimethoxy-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46424516
N-[(3-methoxyphenyl)methyl]-2-propan-2-yl-1,3-benzoxazole-6-carboxamide
CID 53089540
N-(4-carbamoylphenyl)-2-methyl-1,3-benzoxazole-6-carboxamide
CID 110765302
N-(4-ethylphenyl)-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide
CID 53089405

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-N-[4-(pyridin-4-ylmethyl)phenyl]-1,3-benzoxazole-6-carboxamide?
The IUPAC name of 2-propan-2-yl-N-[4-(pyridin-4-ylmethyl)phenyl]-1,3-benzoxazole-6-carboxamide (CID 53089491) is 2-propan-2-yl-N-[4-(pyridin-4-ylmethyl)phenyl]-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for 2-propan-2-yl-N-[4-(pyridin-4-ylmethyl)phenyl]-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for 2-propan-2-yl-N-[4-(pyridin-4-ylmethyl)phenyl]-1,3-benzoxazole-6-carboxamide is CC(C)c1nc2ccc(C(=O)Nc3ccc(Cc4ccncc4)cc3)cc2o1.
What is the InChIKey of 2-propan-2-yl-N-[4-(pyridin-4-ylmethyl)phenyl]-1,3-benzoxazole-6-carboxamide?
The InChIKey is LQOFISLFHRMLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-15(2)23-26-20-8-5-18(14-21(20)28-23)22(27)25-19-6-3-16(4-7-19)13-17-9-11-24-12-10-17/h3-12,14-15H,13H2,1-2H3,(H,25,27).
What are the key properties of 2-propan-2-yl-N-[4-(pyridin-4-ylmethyl)phenyl]-1,3-benzoxazole-6-carboxamide?
2-propan-2-yl-N-[4-(pyridin-4-ylmethyl)phenyl]-1,3-benzoxazole-6-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-N-[4-(pyridin-4-ylmethyl)phenyl]-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 53089491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).