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

C18H18N2O3 — CID 110390393

IUPACN-[(3-methylphenyl)methyl]-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
SMILESCc1cccc(CNC(=O)CCc2ccc3oc(=O)[nH]c3c2)c1
InChIInChI=1S/C18H18N2O3/c1-12-3-2-4-14(9-12)11-19-17(21)8-6-13-5-7-16-15(10-13)20-18(22)23-16/h2-5,7,9-10H,6,8,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyOWZHSNATZGJQCP-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.68
Rot. Bonds5

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

N-[(3-methylphenyl)methyl]-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide (PubChem CID 110390393) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
PubChem CID110390393
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-[(3-methylphenyl)methyl]-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
SMILESCc1cccc(CNC(=O)CCc2ccc3oc(=O)[nH]c3c2)c1
InChIInChI=1S/C18H18N2O3/c1-12-3-2-4-14(9-12)11-19-17(21)8-6-13-5-7-16-15(10-13)20-18(22)23-16/h2-5,7,9-10H,6,8,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyOWZHSNATZGJQCP-UHFFFAOYSA-N
XLogP2.68
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-fluorophenyl)-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]propanamide
CID 110786774
3-(3-methylphenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide
CID 110785273
3-methyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzamide
CID 110786718
3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-propylpropanamide
CID 110390366
N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-2-phenylacetamide
CID 110786737
4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)methylamino]butanoic acid
CID 82501414
N-[(2-chlorophenyl)methyl]-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 110390399
3-oxo-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]butanamide
CID 115176424
3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 110390405
N-benzyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 110773952
3-(3-methyl-2-oxo-1H-quinolin-6-yl)-N-[(3-methylphenyl)methyl]propanamide
CID 110390084
N-(3-methylphenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 110774011

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide (CID 110390393) is N-[(3-methylphenyl)methyl]-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide is Cc1cccc(CNC(=O)CCc2ccc3oc(=O)[nH]c3c2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide?
The InChIKey is OWZHSNATZGJQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-12-3-2-4-14(9-12)11-19-17(21)8-6-13-5-7-16-15(10-13)20-18(22)23-16/h2-5,7,9-10H,6,8,11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[(3-methylphenyl)methyl]-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide?
N-[(3-methylphenyl)methyl]-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide has a molecular weight of 310.35 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide is sourced from PubChem (CID 110390393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).