N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-2-(2-methylphenyl)acetamide

C18H18N2O3 — CID 110786905

IUPACN-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NCc1ccc2oc(=O)n(C)c2c1
InChIInChI=1S/C18H18N2O3/c1-12-5-3-4-6-14(12)10-17(21)19-11-13-7-8-16-15(9-13)20(2)18(22)23-16/h3-9H,10-11H2,1-2H3,(H,19,21)
InChIKeyFLBZGHQAQSZTOW-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.30
Rot. Bonds4

About N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-2-(2-methylphenyl)acetamide

N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-2-(2-methylphenyl)acetamide (PubChem CID 110786905) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-2-(2-methylphenyl)acetamide
PubChem CID110786905
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NCc1ccc2oc(=O)n(C)c2c1
InChIInChI=1S/C18H18N2O3/c1-12-5-3-4-6-14(12)10-17(21)19-11-13-7-8-16-15(9-13)20(2)18(22)23-16/h3-9H,10-11H2,1-2H3,(H,19,21)
InChIKeyFLBZGHQAQSZTOW-UHFFFAOYSA-N
XLogP2.30
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-3-phenylpropanamide
CID 110786871
3-chloro-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]propanamide
CID 115162534
2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 110774127
2-(2-methoxyphenoxy)-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]acetamide
CID 110786884
2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-phenylacetamide
CID 110774161
2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-(2-methylpropyl)acetamide
CID 110774091
N-benzyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 110683274
1-tert-butyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]urea
CID 110775584
N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]cyclopentanecarboxamide
CID 110786846
7-N-[(2-fluorophenyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59461521
N-[2-(2-fluorophenyl)ethyl]-3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide
CID 110683427
3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methylamino]-3-oxopropanoic acid
CID 115163423

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-2-(2-methylphenyl)acetamide (CID 110786905) is N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-2-(2-methylphenyl)acetamide is Cc1ccccc1CC(=O)NCc1ccc2oc(=O)n(C)c2c1.
What is the InChIKey of N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-2-(2-methylphenyl)acetamide?
The InChIKey is FLBZGHQAQSZTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-12-5-3-4-6-14(12)10-17(21)19-11-13-7-8-16-15(9-13)20(2)18(22)23-16/h3-9H,10-11H2,1-2H3,(H,19,21).
What are the key properties of N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-2-(2-methylphenyl)acetamide?
N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-2-(2-methylphenyl)acetamide has a molecular weight of 310.35 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 110786905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).