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

C18H18N2O2 — CID 4089024

IUPACN-[2-(5-methyl-1,3-benzoxazol-2-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccccc1-c1nc2cc(C)ccc2o1
InChIInChI=1S/C18H18N2O2/c1-3-6-17(21)19-14-8-5-4-7-13(14)18-20-15-11-12(2)9-10-16(15)22-18/h4-5,7-11H,3,6H2,1-2H3,(H,19,21)
InChIKeyBJGCZGMBHJBQER-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.54
Rot. Bonds4

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

N-[2-(5-methyl-1,3-benzoxazol-2-yl)phenyl]butanamide (PubChem CID 4089024) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[2-(5-methyl-1,3-benzoxazol-2-yl)phenyl]butanamide.

Molecular Properties

Compound NameN-[2-(5-methyl-1,3-benzoxazol-2-yl)phenyl]butanamide
PubChem CID4089024
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-[2-(5-methyl-1,3-benzoxazol-2-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccccc1-c1nc2cc(C)ccc2o1
InChIInChI=1S/C18H18N2O2/c1-3-6-17(21)19-14-8-5-4-7-13(14)18-20-15-11-12(2)9-10-16(15)22-18/h4-5,7-11H,3,6H2,1-2H3,(H,19,21)
InChIKeyBJGCZGMBHJBQER-UHFFFAOYSA-N
XLogP4.54
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 ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(5-methyl-1,3-benzoxazol-2-yl)anilino]-4-oxobutanoic acid
CID 3530071
3-(1,3-dioxoisoindol-2-yl)-N-[2-(5-methyl-1,3-benzoxazol-2-yl)phenyl]propanamide
CID 4625308
N-[3-hydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]butanamide
CID 136794425
N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]butanamide
CID 952231
4-(2,4-dichlorophenoxy)-N-[2-(5-methyl-1,3-benzoxazol-2-yl)phenyl]butanamide
CID 3539997
2-cyano-N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 168522807
N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 712724
N-[2-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-phenylpropanamide
CID 4649343
tetrakis(2-(5-methyl-1,3-benzoxazol-2-yl)phenol);zirconium
CID 173044170
N-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]propanamide
CID 5343935
5-methyl-2-(2-methylphenyl)-1,3-benzoxazole
CID 839364
2-(4-chloro-3-methylphenoxy)-N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 1362838

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-1,3-benzoxazol-2-yl)phenyl]butanamide?
The IUPAC name of N-[2-(5-methyl-1,3-benzoxazol-2-yl)phenyl]butanamide (CID 4089024) is N-[2-(5-methyl-1,3-benzoxazol-2-yl)phenyl]butanamide.
What is the SMILES notation for N-[2-(5-methyl-1,3-benzoxazol-2-yl)phenyl]butanamide?
The canonical SMILES for N-[2-(5-methyl-1,3-benzoxazol-2-yl)phenyl]butanamide is CCCC(=O)Nc1ccccc1-c1nc2cc(C)ccc2o1.
What is the InChIKey of N-[2-(5-methyl-1,3-benzoxazol-2-yl)phenyl]butanamide?
The InChIKey is BJGCZGMBHJBQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-3-6-17(21)19-14-8-5-4-7-13(14)18-20-15-11-12(2)9-10-16(15)22-18/h4-5,7-11H,3,6H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(5-methyl-1,3-benzoxazol-2-yl)phenyl]butanamide?
N-[2-(5-methyl-1,3-benzoxazol-2-yl)phenyl]butanamide has a molecular weight of 294.35 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-1,3-benzoxazol-2-yl)phenyl]butanamide is sourced from PubChem (CID 4089024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).