4-tert-butyl-N-[2-[(2-methyl-1,3-benzoxazol-6-yl)amino]-2-oxoethyl]benzamide

C21H23N3O3 — CID 86921847

IUPAC4-tert-butyl-N-[2-[(2-methyl-1,3-benzoxazol-6-yl)amino]-2-oxoethyl]benzamide
SMILESCc1nc2ccc(NC(=O)CNC(=O)c3ccc(C(C)(C)C)cc3)cc2o1
InChIInChI=1S/C21H23N3O3/c1-13-23-17-10-9-16(11-18(17)27-13)24-19(25)12-22-20(26)14-5-7-15(8-6-14)21(2,3)4/h5-11H,12H2,1-4H3,(H,22,26)(H,24,25)
InChIKeyIXAKHFZMLBZVEN-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.80
Rot. Bonds4

About 4-tert-butyl-N-[2-[(2-methyl-1,3-benzoxazol-6-yl)amino]-2-oxoethyl]benzamide

4-tert-butyl-N-[2-[(2-methyl-1,3-benzoxazol-6-yl)amino]-2-oxoethyl]benzamide (PubChem CID 86921847) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-[(2-methyl-1,3-benzoxazol-6-yl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-[(2-methyl-1,3-benzoxazol-6-yl)amino]-2-oxoethyl]benzamide
PubChem CID86921847
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name4-tert-butyl-N-[2-[(2-methyl-1,3-benzoxazol-6-yl)amino]-2-oxoethyl]benzamide
SMILESCc1nc2ccc(NC(=O)CNC(=O)c3ccc(C(C)(C)C)cc3)cc2o1
InChIInChI=1S/C21H23N3O3/c1-13-23-17-10-9-16(11-18(17)27-13)24-19(25)12-22-20(26)14-5-7-15(8-6-14)21(2,3)4/h5-11H,12H2,1-4H3,(H,22,26)(H,24,25)
InChIKeyIXAKHFZMLBZVEN-UHFFFAOYSA-N
XLogP3.80
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-tert-butyl-N-[2-[(2-methyl-1,3-benzoxazol-6-yl)amino]-2-oxoethyl]benzamide 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

2,2-dimethyl-N-[2-[(2-methyl-1,3-benzoxazol-6-yl)amino]-2-oxoethyl]propanamide
CID 86921843
3,3,3-trifluoro-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide
CID 86924240
2,2,2-trifluoroethyl N-[2-[(2-methyl-1,3-benzoxazol-6-yl)amino]-2-oxoethyl]carbamate
CID 71931821
4-amino-3,3-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide
CID 115157214
4-tert-butyl-N-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]benzamide
CID 38467290
2,2-dimethyl-3-[(2-methyl-1,3-benzoxazol-6-yl)amino]-3-oxopropanoic acid
CID 115163948
N-(2-methyl-1,3-benzoxazol-6-yl)carbamoyl bromide
CID 115193310
5-[(2-methyl-1,3-benzoxazol-6-yl)amino]-5-oxopentanoic acid
CID 115163815
[(2-methyl-1,3-benzoxazol-6-yl)amino]methanol
CID 115228727
1-(1-hydroxy-2-methylpropan-2-yl)-3-(2-methyl-1,3-benzoxazol-6-yl)urea
CID 110894504
4-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)benzamide
CID 86921766
4-tert-butyl-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide
CID 772126

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-[(2-methyl-1,3-benzoxazol-6-yl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-[(2-methyl-1,3-benzoxazol-6-yl)amino]-2-oxoethyl]benzamide (CID 86921847) is 4-tert-butyl-N-[2-[(2-methyl-1,3-benzoxazol-6-yl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-[(2-methyl-1,3-benzoxazol-6-yl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-[(2-methyl-1,3-benzoxazol-6-yl)amino]-2-oxoethyl]benzamide is Cc1nc2ccc(NC(=O)CNC(=O)c3ccc(C(C)(C)C)cc3)cc2o1.
What is the InChIKey of 4-tert-butyl-N-[2-[(2-methyl-1,3-benzoxazol-6-yl)amino]-2-oxoethyl]benzamide?
The InChIKey is IXAKHFZMLBZVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-13-23-17-10-9-16(11-18(17)27-13)24-19(25)12-22-20(26)14-5-7-15(8-6-14)21(2,3)4/h5-11H,12H2,1-4H3,(H,22,26)(H,24,25).
What are the key properties of 4-tert-butyl-N-[2-[(2-methyl-1,3-benzoxazol-6-yl)amino]-2-oxoethyl]benzamide?
4-tert-butyl-N-[2-[(2-methyl-1,3-benzoxazol-6-yl)amino]-2-oxoethyl]benzamide has a molecular weight of 365.43 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-[(2-methyl-1,3-benzoxazol-6-yl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 86921847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).