1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1R)-1-(3-fluorophenyl)ethyl]-1-methylurea

C16H20FN3O2 — CID 94251751

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1R)-1-(3-fluorophenyl)ethyl]-1-methylurea
SMILESCc1noc(C)c1CN(C)C(=O)N[C@H](C)c1cccc(F)c1
InChIInChI=1S/C16H20FN3O2/c1-10(13-6-5-7-14(17)8-13)18-16(21)20(4)9-15-11(2)19-22-12(15)3/h5-8,10H,9H2,1-4H3,(H,18,21)/t10-/m1/s1
InChIKeyZBMDFAZEJSTMBK-SNVBAGLBSA-N
MW305.35 g/mol
LogP3.33
Rot. Bonds4

About 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1R)-1-(3-fluorophenyl)ethyl]-1-methylurea

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1R)-1-(3-fluorophenyl)ethyl]-1-methylurea (PubChem CID 94251751) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1R)-1-(3-fluorophenyl)ethyl]-1-methylurea.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1R)-1-(3-fluorophenyl)ethyl]-1-methylurea
PubChem CID94251751
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1R)-1-(3-fluorophenyl)ethyl]-1-methylurea
SMILESCc1noc(C)c1CN(C)C(=O)N[C@H](C)c1cccc(F)c1
InChIInChI=1S/C16H20FN3O2/c1-10(13-6-5-7-14(17)8-13)18-16(21)20(4)9-15-11(2)19-22-12(15)3/h5-8,10H,9H2,1-4H3,(H,18,21)/t10-/m1/s1
InChIKeyZBMDFAZEJSTMBK-SNVBAGLBSA-N
XLogP3.33
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1R)-1-(3-fluorophenyl)ethyl]-1-methylurea 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-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1R)-1-(3-fluorophenyl)ethyl]urea
CID 97314301
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(3-fluorophenyl)-1-methylurea
CID 47192595
(2R)-2-(dimethylamino)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(3-fluorophenyl)acetamide
CID 97201809
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(1R)-2-methyl-1-thiophen-2-ylpropyl]urea
CID 95135788
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 75459712
1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 86999776
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(1R)-1-thiophen-2-ylpropyl]urea
CID 94668730
3-(3-chlorophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea
CID 47172079
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 51084495
1-[1-(4-chlorophenyl)ethyl]-3-[1-(3-fluorophenyl)ethyl]-1-methylurea
CID 42951448
N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81366934
N-[1-(4-tert-butylphenyl)ethyl]-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19492614

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1R)-1-(3-fluorophenyl)ethyl]-1-methylurea?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1R)-1-(3-fluorophenyl)ethyl]-1-methylurea (CID 94251751) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1R)-1-(3-fluorophenyl)ethyl]-1-methylurea.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1R)-1-(3-fluorophenyl)ethyl]-1-methylurea?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1R)-1-(3-fluorophenyl)ethyl]-1-methylurea is Cc1noc(C)c1CN(C)C(=O)N[C@H](C)c1cccc(F)c1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1R)-1-(3-fluorophenyl)ethyl]-1-methylurea?
The InChIKey is ZBMDFAZEJSTMBK-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H20FN3O2/c1-10(13-6-5-7-14(17)8-13)18-16(21)20(4)9-15-11(2)19-22-12(15)3/h5-8,10H,9H2,1-4H3,(H,18,21)/t10-/m1/s1.
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1R)-1-(3-fluorophenyl)ethyl]-1-methylurea?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1R)-1-(3-fluorophenyl)ethyl]-1-methylurea has a molecular weight of 305.35 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1R)-1-(3-fluorophenyl)ethyl]-1-methylurea is sourced from PubChem (CID 94251751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).