1-(3-oxo-4H-1,4-benzoxazin-7-yl)-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea

C15H17N5O3 — CID 154754509

IUPAC1-(3-oxo-4H-1,4-benzoxazin-7-yl)-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea
SMILESCC(C)c1cc(NC(=O)Nc2ccc3c(c2)OCC(=O)N3)n[nH]1
InChIInChI=1S/C15H17N5O3/c1-8(2)11-6-13(20-19-11)18-15(22)16-9-3-4-10-12(5-9)23-7-14(21)17-10/h3-6,8H,7H2,1-2H3,(H,17,21)(H3,16,18,19,20,22)
InChIKeyJWIUSFQTSUKNAR-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.51
Rot. Bonds3

About 1-(3-oxo-4H-1,4-benzoxazin-7-yl)-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea

1-(3-oxo-4H-1,4-benzoxazin-7-yl)-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea (PubChem CID 154754509) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is 1-(3-oxo-4H-1,4-benzoxazin-7-yl)-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea.

Molecular Properties

Compound Name1-(3-oxo-4H-1,4-benzoxazin-7-yl)-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea
PubChem CID154754509
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC Name1-(3-oxo-4H-1,4-benzoxazin-7-yl)-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea
SMILESCC(C)c1cc(NC(=O)Nc2ccc3c(c2)OCC(=O)N3)n[nH]1
InChIInChI=1S/C15H17N5O3/c1-8(2)11-6-13(20-19-11)18-15(22)16-9-3-4-10-12(5-9)23-7-14(21)17-10/h3-6,8H,7H2,1-2H3,(H,17,21)(H3,16,18,19,20,22)
InChIKeyJWIUSFQTSUKNAR-UHFFFAOYSA-N
XLogP2.51
TPSA108.14 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1-(3-oxo-4H-1,4-benzoxazin-7-yl)-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methylbutyl)-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea
CID 78893078
1-(2-methyl-1-phenylpropyl)-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea
CID 78893280
1-[1-(2-methylphenyl)ethyl]-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea
CID 78893226
1-[1-(2-methylpropyl)piperidin-4-yl]-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea
CID 78893346
N-(3-oxo-4H-1,4-benzoxazin-7-yl)-2-pyrrolidin-1-ylpropanamide
CID 110226362
N-(3-oxo-4H-1,4-benzoxazin-7-yl)pyridine-2-carboxamide
CID 56587899
N-(3-oxo-4H-1,4-benzoxazin-7-yl)-4-propan-2-yloxybenzamide
CID 110493154
1-[1-(1-benzofuran-2-yl)ethyl]-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea
CID 78893273
1-[[4-(dimethylamino)phenyl]methyl]-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea
CID 78893272
1-(2-cyclopentylethyl)-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea
CID 78893386
N-(3-oxo-4H-1,4-benzoxazin-7-yl)piperidine-4-carboxamide;hydrochloride
CID 119279070
4-(methylamino)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)butanamide
CID 119704209

Frequently Asked Questions

What is the IUPAC name of 1-(3-oxo-4H-1,4-benzoxazin-7-yl)-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea?
The IUPAC name of 1-(3-oxo-4H-1,4-benzoxazin-7-yl)-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea (CID 154754509) is 1-(3-oxo-4H-1,4-benzoxazin-7-yl)-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea.
What is the SMILES notation for 1-(3-oxo-4H-1,4-benzoxazin-7-yl)-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea?
The canonical SMILES for 1-(3-oxo-4H-1,4-benzoxazin-7-yl)-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea is CC(C)c1cc(NC(=O)Nc2ccc3c(c2)OCC(=O)N3)n[nH]1.
What is the InChIKey of 1-(3-oxo-4H-1,4-benzoxazin-7-yl)-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea?
The InChIKey is JWIUSFQTSUKNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3/c1-8(2)11-6-13(20-19-11)18-15(22)16-9-3-4-10-12(5-9)23-7-14(21)17-10/h3-6,8H,7H2,1-2H3,(H,17,21)(H3,16,18,19,20,22).
What are the key properties of 1-(3-oxo-4H-1,4-benzoxazin-7-yl)-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea?
1-(3-oxo-4H-1,4-benzoxazin-7-yl)-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea has a molecular weight of 315.33 g/mol, XLogP of 2.51, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-oxo-4H-1,4-benzoxazin-7-yl)-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea is sourced from PubChem (CID 154754509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).