2-(2-methyl-1,3-benzoxazol-5-yl)-N-(3-methylbutyl)acetamide

C15H20N2O2 — CID 110773848

IUPAC2-(2-methyl-1,3-benzoxazol-5-yl)-N-(3-methylbutyl)acetamide
SMILESCc1nc2cc(CC(=O)NCCC(C)C)ccc2o1
InChIInChI=1S/C15H20N2O2/c1-10(2)6-7-16-15(18)9-12-4-5-14-13(8-12)17-11(3)19-14/h4-5,8,10H,6-7,9H2,1-3H3,(H,16,18)
InChIKeyDCGOZATZFJDLMC-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.84
Rot. Bonds5

About 2-(2-methyl-1,3-benzoxazol-5-yl)-N-(3-methylbutyl)acetamide

2-(2-methyl-1,3-benzoxazol-5-yl)-N-(3-methylbutyl)acetamide (PubChem CID 110773848) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-(2-methyl-1,3-benzoxazol-5-yl)-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(2-methyl-1,3-benzoxazol-5-yl)-N-(3-methylbutyl)acetamide
PubChem CID110773848
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-(2-methyl-1,3-benzoxazol-5-yl)-N-(3-methylbutyl)acetamide
SMILESCc1nc2cc(CC(=O)NCCC(C)C)ccc2o1
InChIInChI=1S/C15H20N2O2/c1-10(2)6-7-16-15(18)9-12-4-5-14-13(8-12)17-11(3)19-14/h4-5,8,10H,6-7,9H2,1-3H3,(H,16,18)
InChIKeyDCGOZATZFJDLMC-UHFFFAOYSA-N
XLogP2.84
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methyl-1,3-benzoxazol-5-yl)-N-propan-2-ylacetamide
CID 110773772
2-(2-methyl-1,3-benzoxazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 110773812
2-(2-methyl-1,3-benzoxazol-5-yl)acetic acid
CID 1478196
N-(2-methoxyethyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390561
2-(2-chlorophenyl)-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]acetamide
CID 110707532
3-methyl-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]butanamide
CID 110791042
N-[2-(dimethylamino)ethyl]-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390565
2-(2-chlorophenyl)-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]acetamide
CID 110786404
N-(3-acetamidophenyl)-2-(2-methyl-1,3-benzoxazol-5-yl)acetamide
CID 110773893
3-cyano-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]propanamide
CID 115173969
N-(3-amino-2-methylpropyl)-2-(2-methyl-1,3-benzoxazol-6-yl)acetamide
CID 115271704
N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]-2-phenoxyacetamide
CID 110707496

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-benzoxazol-5-yl)-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-(2-methyl-1,3-benzoxazol-5-yl)-N-(3-methylbutyl)acetamide (CID 110773848) is 2-(2-methyl-1,3-benzoxazol-5-yl)-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(2-methyl-1,3-benzoxazol-5-yl)-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-(2-methyl-1,3-benzoxazol-5-yl)-N-(3-methylbutyl)acetamide is Cc1nc2cc(CC(=O)NCCC(C)C)ccc2o1.
What is the InChIKey of 2-(2-methyl-1,3-benzoxazol-5-yl)-N-(3-methylbutyl)acetamide?
The InChIKey is DCGOZATZFJDLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10(2)6-7-16-15(18)9-12-4-5-14-13(8-12)17-11(3)19-14/h4-5,8,10H,6-7,9H2,1-3H3,(H,16,18).
What are the key properties of 2-(2-methyl-1,3-benzoxazol-5-yl)-N-(3-methylbutyl)acetamide?
2-(2-methyl-1,3-benzoxazol-5-yl)-N-(3-methylbutyl)acetamide has a molecular weight of 260.34 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-benzoxazol-5-yl)-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 110773848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).