N-[4-[(5-propan-2-yl-1,3-benzoxazol-2-yl)methyl]phenyl]butanamide

C21H24N2O2 — CID 54857866

IUPACN-[4-[(5-propan-2-yl-1,3-benzoxazol-2-yl)methyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(Cc2nc3cc(C(C)C)ccc3o2)cc1
InChIInChI=1S/C21H24N2O2/c1-4-5-20(24)22-17-9-6-15(7-10-17)12-21-23-18-13-16(14(2)3)8-11-19(18)25-21/h6-11,13-14H,4-5,12H2,1-3H3,(H,22,24)
InChIKeyGQEROBKQZARCRK-UHFFFAOYSA-N
MW336.44 g/mol
LogP5.28
Rot. Bonds6

About N-[4-[(5-propan-2-yl-1,3-benzoxazol-2-yl)methyl]phenyl]butanamide

N-[4-[(5-propan-2-yl-1,3-benzoxazol-2-yl)methyl]phenyl]butanamide (PubChem CID 54857866) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[4-[(5-propan-2-yl-1,3-benzoxazol-2-yl)methyl]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[(5-propan-2-yl-1,3-benzoxazol-2-yl)methyl]phenyl]butanamide
PubChem CID54857866
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-[4-[(5-propan-2-yl-1,3-benzoxazol-2-yl)methyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(Cc2nc3cc(C(C)C)ccc3o2)cc1
InChIInChI=1S/C21H24N2O2/c1-4-5-20(24)22-17-9-6-15(7-10-17)12-21-23-18-13-16(14(2)3)8-11-19(18)25-21/h6-11,13-14H,4-5,12H2,1-3H3,(H,22,24)
InChIKeyGQEROBKQZARCRK-UHFFFAOYSA-N
XLogP5.28
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.44
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-[(5-propan-2-yl-1,3-benzoxazol-2-yl)methyl]phenyl]butanamide 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

4-ethyl-N-[4-[(5-propan-2-yl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide
CID 54857952
2-(2,4-dimethylphenoxy)-N-[4-[(5-propan-2-yl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide
CID 54858713
2-(2-chlorophenoxy)-N-[4-[(5-propan-2-yl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide
CID 54859006
N-(2-benzyl-1,3-benzoxazol-5-yl)pentanamide
CID 17163174
N-[4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-methylbutanamide
CID 54857895
N-(2-benzyl-1,3-benzoxazol-5-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 17163239
2-(3-methylphenoxy)-N-[[4-[(5-propan-2-yl-1,3-benzoxazol-2-yl)methyl]phenyl]carbamothioyl]acetamide
CID 54859693
(E)-N-[4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 54858944
3-methoxy-N-[[4-[(5-propan-2-yl-1,3-benzoxazol-2-yl)methyl]phenyl]carbamothioyl]benzamide
CID 54859707
2-(4-chlorophenyl)-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide
CID 54858538
N-methyl-1-(5-propan-2-yl-1,3-benzoxazol-2-yl)methanamine
CID 82230268
N-[4-[(5-ethyl-1,3-benzoxazol-2-yl)methyl]phenyl]-2-(4-methylphenoxy)acetamide
CID 54858611

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-propan-2-yl-1,3-benzoxazol-2-yl)methyl]phenyl]butanamide?
The IUPAC name of N-[4-[(5-propan-2-yl-1,3-benzoxazol-2-yl)methyl]phenyl]butanamide (CID 54857866) is N-[4-[(5-propan-2-yl-1,3-benzoxazol-2-yl)methyl]phenyl]butanamide.
What is the SMILES notation for N-[4-[(5-propan-2-yl-1,3-benzoxazol-2-yl)methyl]phenyl]butanamide?
The canonical SMILES for N-[4-[(5-propan-2-yl-1,3-benzoxazol-2-yl)methyl]phenyl]butanamide is CCCC(=O)Nc1ccc(Cc2nc3cc(C(C)C)ccc3o2)cc1.
What is the InChIKey of N-[4-[(5-propan-2-yl-1,3-benzoxazol-2-yl)methyl]phenyl]butanamide?
The InChIKey is GQEROBKQZARCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-4-5-20(24)22-17-9-6-15(7-10-17)12-21-23-18-13-16(14(2)3)8-11-19(18)25-21/h6-11,13-14H,4-5,12H2,1-3H3,(H,22,24).
What are the key properties of N-[4-[(5-propan-2-yl-1,3-benzoxazol-2-yl)methyl]phenyl]butanamide?
N-[4-[(5-propan-2-yl-1,3-benzoxazol-2-yl)methyl]phenyl]butanamide has a molecular weight of 336.44 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-propan-2-yl-1,3-benzoxazol-2-yl)methyl]phenyl]butanamide is sourced from PubChem (CID 54857866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).