1-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-propan-2-ylurea

C12H15N3O3 — CID 23505699

IUPAC1-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc2oc(=O)n(C)c2c1
InChIInChI=1S/C12H15N3O3/c1-7(2)13-11(16)14-8-4-5-10-9(6-8)15(3)12(17)18-10/h4-7H,1-3H3,(H2,13,14,16)
InChIKeyUCQINXIFEYVDLA-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.66
Rot. Bonds2

About 1-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-propan-2-ylurea

1-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-propan-2-ylurea (PubChem CID 23505699) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 1-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-propan-2-ylurea
PubChem CID23505699
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name1-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc2oc(=O)n(C)c2c1
InChIInChI=1S/C12H15N3O3/c1-7(2)13-11(16)14-8-4-5-10-9(6-8)15(3)12(17)18-10/h4-7H,1-3H3,(H2,13,14,16)
InChIKeyUCQINXIFEYVDLA-UHFFFAOYSA-N
XLogP1.66
TPSA76.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-[(1R)-1-(4-methylphenyl)ethyl]urea
CID 95597501
2-methyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)amino]-3-oxopropanoic acid
CID 115164147
1-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 95597498
2-amino-3-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)amino]-3-oxopropanoic acid
CID 115179138
2,2,2-trifluoro-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide
CID 115190137
3-(methylamino)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide
CID 83547008
tert-butyl N-[3-methyl-1-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)amino]-1-oxobutan-2-yl]carbamate
CID 110608078
3-hydroxy-4-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 115122894
1-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)urea
CID 97454974
2-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)amino]propanenitrile
CID 115129916
2-(3,4-dimethoxyphenyl)-3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)butanamide
CID 110411045
3-methyl-5-(3-oxobutylamino)-1,3-benzoxazol-2-one
CID 115235442

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-propan-2-ylurea?
The IUPAC name of 1-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-propan-2-ylurea (CID 23505699) is 1-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-propan-2-ylurea?
The canonical SMILES for 1-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-propan-2-ylurea is CC(C)NC(=O)Nc1ccc2oc(=O)n(C)c2c1.
What is the InChIKey of 1-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-propan-2-ylurea?
The InChIKey is UCQINXIFEYVDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-7(2)13-11(16)14-8-4-5-10-9(6-8)15(3)12(17)18-10/h4-7H,1-3H3,(H2,13,14,16).
What are the key properties of 1-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-propan-2-ylurea?
1-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-propan-2-ylurea has a molecular weight of 249.27 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-propan-2-ylurea is sourced from PubChem (CID 23505699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).