1-(3-methyl-1,2-oxazol-4-yl)-3-(2-propan-2-ylpyrazol-3-yl)urea

C11H15N5O2 — CID 139021582

IUPAC1-(3-methyl-1,2-oxazol-4-yl)-3-(2-propan-2-ylpyrazol-3-yl)urea
SMILESCc1nocc1NC(=O)Nc1ccnn1C(C)C
InChIInChI=1S/C11H15N5O2/c1-7(2)16-10(4-5-12-16)14-11(17)13-9-6-18-15-8(9)3/h4-7H,1-3H3,(H2,13,14,17)
InChIKeyQRJDGCPRHPIJOQ-UHFFFAOYSA-N
MW249.27 g/mol
LogP2.40
Rot. Bonds3

About 1-(3-methyl-1,2-oxazol-4-yl)-3-(2-propan-2-ylpyrazol-3-yl)urea

1-(3-methyl-1,2-oxazol-4-yl)-3-(2-propan-2-ylpyrazol-3-yl)urea (PubChem CID 139021582) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 1-(3-methyl-1,2-oxazol-4-yl)-3-(2-propan-2-ylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-(3-methyl-1,2-oxazol-4-yl)-3-(2-propan-2-ylpyrazol-3-yl)urea
PubChem CID139021582
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name1-(3-methyl-1,2-oxazol-4-yl)-3-(2-propan-2-ylpyrazol-3-yl)urea
SMILESCc1nocc1NC(=O)Nc1ccnn1C(C)C
InChIInChI=1S/C11H15N5O2/c1-7(2)16-10(4-5-12-16)14-11(17)13-9-6-18-15-8(9)3/h4-7H,1-3H3,(H2,13,14,17)
InChIKeyQRJDGCPRHPIJOQ-UHFFFAOYSA-N
XLogP2.40
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-3-(2-propan-2-ylpyrazol-3-yl)urea
CID 47198802
methyl N-(2-propan-2-ylpyrazol-3-yl)carbamate
CID 115619372
4-methyl-N-(2-propan-2-ylpyrazol-3-yl)thiadiazole-5-carboxamide
CID 146075706
1-cyclohexyl-3-(2-propan-2-ylpyrazol-3-yl)urea
CID 47103204
3-(ethylamino)-2-methyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 62853946
2,4-dimethyl-N-(2-propan-2-ylpyrazol-3-yl)-1,3-thiazole-5-carboxamide
CID 78772783
1-O-ethyl 4-O-[1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] (E)-but-2-enedioate
CID 42902059
2-(azepan-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 42913354
(2R)-2-amino-N-(2-propan-2-ylpyrazol-3-yl)pentanamide
CID 103794002
(2R)-2-(3,4-dimethylphenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 8633747
2-amino-4-methyl-N-(2-propan-2-ylpyrazol-3-yl)-1,3-thiazole-5-carboxamide
CID 62794761
2-(cyclopropylamino)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 60687383

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,2-oxazol-4-yl)-3-(2-propan-2-ylpyrazol-3-yl)urea?
The IUPAC name of 1-(3-methyl-1,2-oxazol-4-yl)-3-(2-propan-2-ylpyrazol-3-yl)urea (CID 139021582) is 1-(3-methyl-1,2-oxazol-4-yl)-3-(2-propan-2-ylpyrazol-3-yl)urea.
What is the SMILES notation for 1-(3-methyl-1,2-oxazol-4-yl)-3-(2-propan-2-ylpyrazol-3-yl)urea?
The canonical SMILES for 1-(3-methyl-1,2-oxazol-4-yl)-3-(2-propan-2-ylpyrazol-3-yl)urea is Cc1nocc1NC(=O)Nc1ccnn1C(C)C.
What is the InChIKey of 1-(3-methyl-1,2-oxazol-4-yl)-3-(2-propan-2-ylpyrazol-3-yl)urea?
The InChIKey is QRJDGCPRHPIJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-7(2)16-10(4-5-12-16)14-11(17)13-9-6-18-15-8(9)3/h4-7H,1-3H3,(H2,13,14,17).
What are the key properties of 1-(3-methyl-1,2-oxazol-4-yl)-3-(2-propan-2-ylpyrazol-3-yl)urea?
1-(3-methyl-1,2-oxazol-4-yl)-3-(2-propan-2-ylpyrazol-3-yl)urea has a molecular weight of 249.27 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,2-oxazol-4-yl)-3-(2-propan-2-ylpyrazol-3-yl)urea is sourced from PubChem (CID 139021582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).