N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-methylbutanamide

C18H18N2O2 — CID 2966077

IUPACN-[4-(1,3-benzoxazol-2-yl)phenyl]-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1
InChIInChI=1S/C18H18N2O2/c1-3-12(2)17(21)19-14-10-8-13(9-11-14)18-20-15-6-4-5-7-16(15)22-18/h4-12H,3H2,1-2H3,(H,19,21)
InChIKeyFNQUCBLEKQSEJL-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.48
Rot. Bonds4

About N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-methylbutanamide

N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-methylbutanamide (PubChem CID 2966077) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-methylbutanamide.

Molecular Properties

Compound NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-2-methylbutanamide
PubChem CID2966077
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1
InChIInChI=1S/C18H18N2O2/c1-3-12(2)17(21)19-14-10-8-13(9-11-14)18-20-15-6-4-5-7-16(15)22-18/h4-12H,3H2,1-2H3,(H,19,21)
InChIKeyFNQUCBLEKQSEJL-UHFFFAOYSA-N
XLogP4.48
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 762785
(2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-phenoxypropanamide
CID 1098892
N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-methylpropanamide
CID 17099655
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 55493163
2-(3-aminophenyl)sulfanyl-N-[4-(1,3-benzoxazol-2-yl)phenyl]butanamide
CID 18894376
2-methyl-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]pentanamide
CID 17359918
(2R)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-phenylbutanamide
CID 2203697
(2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(3-methylphenoxy)propanamide
CID 9349857
(2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(3-chlorophenoxy)propanamide
CID 9323078
N-[4-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-2,2-diphenylacetamide
CID 28866087
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2-methoxyphenyl)acetamide
CID 1331218
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 16838774

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-methylbutanamide?
The IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-methylbutanamide (CID 2966077) is N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-methylbutanamide.
What is the SMILES notation for N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-methylbutanamide?
The canonical SMILES for N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-methylbutanamide is CCC(C)C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1.
What is the InChIKey of N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-methylbutanamide?
The InChIKey is FNQUCBLEKQSEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-3-12(2)17(21)19-14-10-8-13(9-11-14)18-20-15-6-4-5-7-16(15)22-18/h4-12H,3H2,1-2H3,(H,19,21).
What are the key properties of N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-methylbutanamide?
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-methylbutanamide has a molecular weight of 294.35 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-methylbutanamide is sourced from PubChem (CID 2966077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).