1-[2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)ethyl]-3-propylurea

C14H19N3O3 — CID 110776303

IUPAC1-[2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)ethyl]-3-propylurea
SMILESCCCNC(=O)NCCc1ccc2oc(=O)n(C)c2c1
InChIInChI=1S/C14H19N3O3/c1-3-7-15-13(18)16-8-6-10-4-5-12-11(9-10)17(2)14(19)20-12/h4-5,9H,3,6-8H2,1-2H3,(H2,15,16,18)
InChIKeyGBZUENXMJUFIGA-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.38
Rot. Bonds5

About 1-[2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)ethyl]-3-propylurea

1-[2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)ethyl]-3-propylurea (PubChem CID 110776303) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-[2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)ethyl]-3-propylurea.

Molecular Properties

Compound Name1-[2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)ethyl]-3-propylurea
PubChem CID110776303
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-[2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)ethyl]-3-propylurea
SMILESCCCNC(=O)NCCc1ccc2oc(=O)n(C)c2c1
InChIInChI=1S/C14H19N3O3/c1-3-7-15-13(18)16-8-6-10-4-5-12-11(9-10)17(2)14(19)20-12/h4-5,9H,3,6-8H2,1-2H3,(H2,15,16,18)
InChIKeyGBZUENXMJUFIGA-UHFFFAOYSA-N
XLogP1.38
TPSA76.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-3-[2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)ethyl]urea
CID 115192957
1-[2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)ethyl]-3-phenylurea
CID 110776299
N-[2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 110792263
1-benzyl-3-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]urea
CID 110776292
3-methyl-5-[2-(methylaminomethylamino)ethyl]-1,3-benzoxazol-2-one
CID 115227229
3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanoic acid
CID 82494222
2-(4-fluorophenoxy)-N-[2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)ethyl]acetamide
CID 110792282
1-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]-3-phenylurea
CID 110776289
2-chloro-N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]acetamide
CID 115162152
3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 110683424
1-tert-butyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]urea
CID 110775584
5-[2-(dimethylsulfamoylamino)ethyl]-3-methyl-2-oxo-1,3-benzoxazole
CID 110792287

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)ethyl]-3-propylurea?
The IUPAC name of 1-[2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)ethyl]-3-propylurea (CID 110776303) is 1-[2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)ethyl]-3-propylurea.
What is the SMILES notation for 1-[2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)ethyl]-3-propylurea?
The canonical SMILES for 1-[2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)ethyl]-3-propylurea is CCCNC(=O)NCCc1ccc2oc(=O)n(C)c2c1.
What is the InChIKey of 1-[2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)ethyl]-3-propylurea?
The InChIKey is GBZUENXMJUFIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-3-7-15-13(18)16-8-6-10-4-5-12-11(9-10)17(2)14(19)20-12/h4-5,9H,3,6-8H2,1-2H3,(H2,15,16,18).
What are the key properties of 1-[2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)ethyl]-3-propylurea?
1-[2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)ethyl]-3-propylurea has a molecular weight of 277.32 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)ethyl]-3-propylurea is sourced from PubChem (CID 110776303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).