1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]urea

C16H19F2N3O3 — CID 119050745

IUPAC1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]urea
SMILESCc1coc(-c2cc(NC(=O)N(CCO)CC(F)F)ccc2C)n1
InChIInChI=1S/C16H19F2N3O3/c1-10-3-4-12(7-13(10)15-19-11(2)9-24-15)20-16(23)21(5-6-22)8-14(17)18/h3-4,7,9,14,22H,5-6,8H2,1-2H3,(H,20,23)
InChIKeyCNTAKZCFIUQDDX-UHFFFAOYSA-N
MW339.34 g/mol
LogP3.05
Rot. Bonds6

About 1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]urea

1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]urea (PubChem CID 119050745) has the molecular formula C16H19F2N3O3 and a molecular weight of 339.34 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]urea
PubChem CID119050745
Molecular FormulaC16H19F2N3O3
Molecular Weight339.34 g/mol
Exact Mass339.14
IUPAC Name1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]urea
SMILESCc1coc(-c2cc(NC(=O)N(CCO)CC(F)F)ccc2C)n1
InChIInChI=1S/C16H19F2N3O3/c1-10-3-4-12(7-13(10)15-19-11(2)9-24-15)20-16(23)21(5-6-22)8-14(17)18/h3-4,7,9,14,22H,5-6,8H2,1-2H3,(H,20,23)
InChIKeyCNTAKZCFIUQDDX-UHFFFAOYSA-N
XLogP3.05
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.34
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]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

3-amino-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]propanamide;hydrochloride
CID 119343667
(2S)-2-ethyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]pyrrolidine-1-carboxamide
CID 176940437
5-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 107481732
2-hydroxy-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]cyclopentane-1-carboxamide
CID 110016334
3-cyclohexa-1,5-dien-1-yl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]butanamide;molecular hydrogen
CID 176940384
2-[3-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]phenyl]acetic acid
CID 107481817
N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119818830
3-amino-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]cyclopentane-1-carboxamide
CID 119818797
1-[[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122087034
N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]-3,9-diazabicyclo[4.2.1]nonane-9-carboxamide
CID 128753344
3,3,3-trifluoro-N-[5-methyl-4-(4-methyl-1,3-oxazol-2-yl)-2-pyridinyl]propanamide
CID 176940157
3-(3-bromo-4-methylphenyl)-1-(2-hydroxyethyl)-1-(3-hydroxypropyl)urea
CID 111925952

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]urea?
The IUPAC name of 1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]urea (CID 119050745) is 1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]urea.
What is the SMILES notation for 1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]urea?
The canonical SMILES for 1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]urea is Cc1coc(-c2cc(NC(=O)N(CCO)CC(F)F)ccc2C)n1.
What is the InChIKey of 1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]urea?
The InChIKey is CNTAKZCFIUQDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O3/c1-10-3-4-12(7-13(10)15-19-11(2)9-24-15)20-16(23)21(5-6-22)8-14(17)18/h3-4,7,9,14,22H,5-6,8H2,1-2H3,(H,20,23).
What are the key properties of 1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]urea?
1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]urea has a molecular weight of 339.34 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]urea is sourced from PubChem (CID 119050745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).