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

C18H18N2O3 — CID 110786871

IUPACN-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-3-phenylpropanamide
SMILESCn1c(=O)oc2ccc(CNC(=O)CCc3ccccc3)cc21
InChIInChI=1S/C18H18N2O3/c1-20-15-11-14(7-9-16(15)23-18(20)22)12-19-17(21)10-8-13-5-3-2-4-6-13/h2-7,9,11H,8,10,12H2,1H3,(H,19,21)
InChIKeyUMWSZXZSMJGWIP-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.38
Rot. Bonds5

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

N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-3-phenylpropanamide (PubChem CID 110786871) 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]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-3-phenylpropanamide
PubChem CID110786871
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-3-phenylpropanamide
SMILESCn1c(=O)oc2ccc(CNC(=O)CCc3ccccc3)cc21
InChIInChI=1S/C18H18N2O3/c1-20-15-11-14(7-9-16(15)23-18(20)22)12-19-17(21)10-8-13-5-3-2-4-6-13/h2-7,9,11H,8,10,12H2,1H3,(H,19,21)
InChIKeyUMWSZXZSMJGWIP-UHFFFAOYSA-N
XLogP2.38
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]propanamide
CID 115162534
N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-2-(2-methylphenyl)acetamide
CID 110786905
N-[2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 110792263
2-(2-methoxyphenoxy)-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]acetamide
CID 110786884
3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanoic acid
CID 82494222
N-[2-(2-fluorophenyl)ethyl]-3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide
CID 110683427
N-benzyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 110683274
3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 110683424
3-chloro-N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]propanamide
CID 115162532
2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-phenylacetamide
CID 110774161
2-[3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanoylamino]benzamide
CID 110683465
2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 110774127

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-3-phenylpropanamide?
The IUPAC name of N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-3-phenylpropanamide (CID 110786871) is N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-3-phenylpropanamide.
What is the SMILES notation for N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-3-phenylpropanamide?
The canonical SMILES for N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-3-phenylpropanamide is Cn1c(=O)oc2ccc(CNC(=O)CCc3ccccc3)cc21.
What is the InChIKey of N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-3-phenylpropanamide?
The InChIKey is UMWSZXZSMJGWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-20-15-11-14(7-9-16(15)23-18(20)22)12-19-17(21)10-8-13-5-3-2-4-6-13/h2-7,9,11H,8,10,12H2,1H3,(H,19,21).
What are the key properties of N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-3-phenylpropanamide?
N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-3-phenylpropanamide has a molecular weight of 310.35 g/mol, XLogP of 2.38, 5 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]-3-phenylpropanamide is sourced from PubChem (CID 110786871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).