5-(2-methoxyphenyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-1,2-oxazole-3-carboxamide

C21H19N3O4 — CID 47028094

IUPAC5-(2-methoxyphenyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)Nc2ccc3oc(C(C)C)nc3c2)no1
InChIInChI=1S/C21H19N3O4/c1-12(2)21-23-15-10-13(8-9-18(15)27-21)22-20(25)16-11-19(28-24-16)14-6-4-5-7-17(14)26-3/h4-12H,1-3H3,(H,22,25)
InChIKeyQBINCHDNKAWISN-UHFFFAOYSA-N
MW377.40 g/mol
LogP4.87
Rot. Bonds5

About 5-(2-methoxyphenyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-1,2-oxazole-3-carboxamide

5-(2-methoxyphenyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-1,2-oxazole-3-carboxamide (PubChem CID 47028094) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-1,2-oxazole-3-carboxamide
PubChem CID47028094
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Name5-(2-methoxyphenyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)Nc2ccc3oc(C(C)C)nc3c2)no1
InChIInChI=1S/C21H19N3O4/c1-12(2)21-23-15-10-13(8-9-18(15)27-21)22-20(25)16-11-19(28-24-16)14-6-4-5-7-17(14)26-3/h4-12H,1-3H3,(H,22,25)
InChIKeyQBINCHDNKAWISN-UHFFFAOYSA-N
XLogP4.87
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(2-methoxyphenyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-1,2-oxazole-3-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

5-(2-methoxyphenyl)-N-(3-methylphenyl)-1,2-oxazole-3-carboxamide
CID 46417466
5-(2-methoxyphenyl)-N-[3-(phenylcarbamoylamino)phenyl]-1,2-oxazole-3-carboxamide
CID 46417646
5-(2-methoxyphenyl)-N-[3-(trifluoromethoxy)phenyl]-1,2-oxazole-3-carboxamide
CID 37342704
2-ethoxy-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46401841
3,5-dimethoxy-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46424516
2-methoxy-N-[3-oxo-3-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]propyl]benzamide
CID 46401809
5-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]-1,2-oxazole-3-carboxamide
CID 41098465
5-(2-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 15988743
3-acetamido-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46401870
N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55853524
N-(5-chloro-1,3-benzothiazol-2-yl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 46963664
N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2,6-dimethoxybenzamide
CID 19630286

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(2-methoxyphenyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-1,2-oxazole-3-carboxamide (CID 47028094) is 5-(2-methoxyphenyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(2-methoxyphenyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(2-methoxyphenyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-1,2-oxazole-3-carboxamide is COc1ccccc1-c1cc(C(=O)Nc2ccc3oc(C(C)C)nc3c2)no1.
What is the InChIKey of 5-(2-methoxyphenyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is QBINCHDNKAWISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-12(2)21-23-15-10-13(8-9-18(15)27-21)22-20(25)16-11-19(28-24-16)14-6-4-5-7-17(14)26-3/h4-12H,1-3H3,(H,22,25).
What are the key properties of 5-(2-methoxyphenyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-1,2-oxazole-3-carboxamide?
5-(2-methoxyphenyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 377.40 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 47028094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).