1-[(R)-cyclopropyl(phenyl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea

C17H21N3O2 — CID 97314286

IUPAC1-[(R)-cyclopropyl(phenyl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea
SMILESCc1noc(C)c1CNC(=O)N[C@@H](c1ccccc1)C1CC1
InChIInChI=1S/C17H21N3O2/c1-11-15(12(2)22-20-11)10-18-17(21)19-16(14-8-9-14)13-6-4-3-5-7-13/h3-7,14,16H,8-10H2,1-2H3,(H2,18,19,21)/t16-/m0/s1
InChIKeyZBHVSZPZDWBEHP-INIZCTEOSA-N
MW299.37 g/mol
LogP3.24
Rot. Bonds5

About 1-[(R)-cyclopropyl(phenyl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea

1-[(R)-cyclopropyl(phenyl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea (PubChem CID 97314286) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-[(R)-cyclopropyl(phenyl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-[(R)-cyclopropyl(phenyl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea
PubChem CID97314286
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-[(R)-cyclopropyl(phenyl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea
SMILESCc1noc(C)c1CNC(=O)N[C@@H](c1ccccc1)C1CC1
InChIInChI=1S/C17H21N3O2/c1-11-15(12(2)22-20-11)10-18-17(21)19-16(14-8-9-14)13-6-4-3-5-7-13/h3-7,14,16H,8-10H2,1-2H3,(H2,18,19,21)/t16-/m0/s1
InChIKeyZBHVSZPZDWBEHP-INIZCTEOSA-N
XLogP3.24
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(R)-cyclopropyl(phenyl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea with MolForge

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Related Compounds

N-[(R)-cyclopropyl(phenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 93235402
1-[(S)-cyclopropyl(phenyl)methyl]-3-(pyridin-2-ylmethyl)urea
CID 51469806
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1R,2R)-2-phenylcyclopropyl]urea
CID 95302935
N-[cyclopropyl(phenyl)methyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 42929290
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-[(1R)-1-pyridin-4-ylethyl]urea
CID 97314303
3-acetamido-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-phenylpropanamide
CID 75462228
1-[(R)-cyclopropyl(phenyl)methyl]-3-[(4-fluorophenyl)methyl]urea
CID 41257535
1-[(S)-cyclopropyl(phenyl)methyl]-3-[(4-fluorophenyl)methyl]urea
CID 41257538
1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea
CID 47850579
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1S)-1-(3,5-dimethylphenyl)ethyl]urea
CID 95615935
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]-2-phenylcyclopropane-1-carboxylic acid
CID 166258805

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclopropyl(phenyl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea?
The IUPAC name of 1-[(R)-cyclopropyl(phenyl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea (CID 97314286) is 1-[(R)-cyclopropyl(phenyl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea.
What is the SMILES notation for 1-[(R)-cyclopropyl(phenyl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea?
The canonical SMILES for 1-[(R)-cyclopropyl(phenyl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea is Cc1noc(C)c1CNC(=O)N[C@@H](c1ccccc1)C1CC1.
What is the InChIKey of 1-[(R)-cyclopropyl(phenyl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea?
The InChIKey is ZBHVSZPZDWBEHP-INIZCTEOSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-11-15(12(2)22-20-11)10-18-17(21)19-16(14-8-9-14)13-6-4-3-5-7-13/h3-7,14,16H,8-10H2,1-2H3,(H2,18,19,21)/t16-/m0/s1.
What are the key properties of 1-[(R)-cyclopropyl(phenyl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea?
1-[(R)-cyclopropyl(phenyl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea has a molecular weight of 299.37 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclopropyl(phenyl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea is sourced from PubChem (CID 97314286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).