1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea

C13H17F2N5O2 — CID 71978904

IUPAC1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea
SMILESCc1noc(C)c1C(C)NC(=O)Nc1ccn(CC(F)F)n1
InChIInChI=1S/C13H17F2N5O2/c1-7(12-8(2)19-22-9(12)3)16-13(21)17-11-4-5-20(18-11)6-10(14)15/h4-5,7,10H,6H2,1-3H3,(H2,16,17,18,21)
InChIKeyNFNWQHNPXPMKJL-UHFFFAOYSA-N
MW313.31 g/mol
LogP2.64
Rot. Bonds5

About 1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea

1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea (PubChem CID 71978904) has the molecular formula C13H17F2N5O2 and a molecular weight of 313.31 g/mol. Its IUPAC name is 1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea
PubChem CID71978904
Molecular FormulaC13H17F2N5O2
Molecular Weight313.31 g/mol
Exact Mass313.14
IUPAC Name1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea
SMILESCc1noc(C)c1C(C)NC(=O)Nc1ccn(CC(F)F)n1
InChIInChI=1S/C13H17F2N5O2/c1-7(12-8(2)19-22-9(12)3)16-13(21)17-11-4-5-20(18-11)6-10(14)15/h4-5,7,10H,6H2,1-3H3,(H2,16,17,18,21)
InChIKeyNFNWQHNPXPMKJL-UHFFFAOYSA-N
XLogP2.64
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]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

(2S)-2-amino-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]propanamide
CID 119341236
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylurea
CID 115626660
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,2-difluoroacetamide
CID 103515802
1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(2R)-2-(5-methyl-1,3-thiazol-2-yl)propyl]urea
CID 97305939
5-[[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]carbamoylamino]-2-fluoro-N-methylbenzamide
CID 95905887
2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoylamino]acetic acid
CID 79242440
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-fluoro-6-hydroxybenzamide
CID 86797727
1-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[3-(2-fluorophenoxy)propyl]urea
CID 95904909
3-amino-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]propanamide;hydrochloride
CID 119341237
1-(2,2-difluoroethyl)-N-propan-2-ylpyrazol-3-amine
CID 115921015
1-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[(2S)-1-hydroxybutan-2-yl]urea
CID 99856758
N-[[3-[[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]carbamoylamino]phenyl]methyl]-N-methylacetamide
CID 95768857

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea?
The IUPAC name of 1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea (CID 71978904) is 1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea?
The canonical SMILES for 1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea is Cc1noc(C)c1C(C)NC(=O)Nc1ccn(CC(F)F)n1.
What is the InChIKey of 1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea?
The InChIKey is NFNWQHNPXPMKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N5O2/c1-7(12-8(2)19-22-9(12)3)16-13(21)17-11-4-5-20(18-11)6-10(14)15/h4-5,7,10H,6H2,1-3H3,(H2,16,17,18,21).
What are the key properties of 1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea?
1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea has a molecular weight of 313.31 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea is sourced from PubChem (CID 71978904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).