1-[1-(1-methylpyrazol-4-yl)ethyl]-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea

C13H19N5O2 — CID 146129464

IUPAC1-[1-(1-methylpyrazol-4-yl)ethyl]-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea
SMILESCC(C)c1cc(NC(=O)NC(C)c2cnn(C)c2)no1
InChIInChI=1S/C13H19N5O2/c1-8(2)11-5-12(17-20-11)16-13(19)15-9(3)10-6-14-18(4)7-10/h5-9H,1-4H3,(H2,15,16,17,19)
InChIKeyGOTURSROJQFANH-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.41
Rot. Bonds4

About 1-[1-(1-methylpyrazol-4-yl)ethyl]-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea

1-[1-(1-methylpyrazol-4-yl)ethyl]-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea (PubChem CID 146129464) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 1-[1-(1-methylpyrazol-4-yl)ethyl]-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-[1-(1-methylpyrazol-4-yl)ethyl]-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea
PubChem CID146129464
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name1-[1-(1-methylpyrazol-4-yl)ethyl]-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea
SMILESCC(C)c1cc(NC(=O)NC(C)c2cnn(C)c2)no1
InChIInChI=1S/C13H19N5O2/c1-8(2)11-5-12(17-20-11)16-13(19)15-9(3)10-6-14-18(4)7-10/h5-9H,1-4H3,(H2,15,16,17,19)
InChIKeyGOTURSROJQFANH-UHFFFAOYSA-N
XLogP2.41
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyano-3-(1,5-dimethyl-1H-pyrazol-4-yl)-N-(5-methylisoxazol-3-yl)propanamide
CID 52996156
N-(5-methyl-1,2-oxazol-3-yl)-2-[2-(4-methylpyrazol-1-yl)ethylamino]butanamide
CID 53622023
1-ethyl-N-(5-methylisoxazol-3-yl)-1H-pyrazole-4-carboxamide
CID 841518
(3S)-N-(5-propan-2-yl-1,2-oxazol-3-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
CID 164630242
1-(5-Tert-butyl-1,2-oxazol-3-yl)-3-[1-(2,2-difluoroethyl)pyrazol-4-yl]urea
CID 71984874
N-(5-propan-2-yl-1,2-oxazol-3-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
CID 132378372
1-(5-Fluoro-1-methylpyrazol-3-yl)-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea
CID 166301604
1-(5-Tert-butyl-1,2-oxazol-3-yl)-3-[5-(difluoromethyl)-1-methylpyrazol-4-yl]urea
CID 167841387
1-methyl-N-(5-methyl-3-isoxazolyl)-1H-pyrazole-4-carboxamide
CID 5128644
5-Propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)-1,2-oxazol-2-ium
CID 126671473
N-[1-[4-(1,3-dimethylpyrazol-4-yl)piperidin-1-yl]ethenyl]-1,2-oxazol-3-amine
CID 169869694
4-cyclohexyl-2-N-(5-methyl-1,2-oxazol-3-yl)-5-(1-methylpyrazol-4-yl)-1H-pyrimidine-2,4-diamine
CID 176010083

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-methylpyrazol-4-yl)ethyl]-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea?
The IUPAC name of 1-[1-(1-methylpyrazol-4-yl)ethyl]-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea (CID 146129464) is 1-[1-(1-methylpyrazol-4-yl)ethyl]-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-[1-(1-methylpyrazol-4-yl)ethyl]-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-[1-(1-methylpyrazol-4-yl)ethyl]-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea is CC(C)c1cc(NC(=O)NC(C)c2cnn(C)c2)no1.
What is the InChIKey of 1-[1-(1-methylpyrazol-4-yl)ethyl]-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea?
The InChIKey is GOTURSROJQFANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-8(2)11-5-12(17-20-11)16-13(19)15-9(3)10-6-14-18(4)7-10/h5-9H,1-4H3,(H2,15,16,17,19).
What are the key properties of 1-[1-(1-methylpyrazol-4-yl)ethyl]-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea?
1-[1-(1-methylpyrazol-4-yl)ethyl]-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea has a molecular weight of 277.33 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-methylpyrazol-4-yl)ethyl]-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 146129464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).