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

C16H19N3O2 — CID 95302935

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1R,2R)-2-phenylcyclopropyl]urea
SMILESCc1noc(C)c1CNC(=O)N[C@@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C16H19N3O2/c1-10-14(11(2)21-19-10)9-17-16(20)18-15-8-13(15)12-6-4-3-5-7-12/h3-7,13,15H,8-9H2,1-2H3,(H2,17,18,20)/t13-,15-/m1/s1
InChIKeyOFNWLNJESKXBLF-UKRRQHHQSA-N
MW285.35 g/mol
LogP2.65
Rot. Bonds4

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

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1R,2R)-2-phenylcyclopropyl]urea (PubChem CID 95302935) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1R,2R)-2-phenylcyclopropyl]urea.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1R,2R)-2-phenylcyclopropyl]urea
PubChem CID95302935
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1R,2R)-2-phenylcyclopropyl]urea
SMILESCc1noc(C)c1CNC(=O)N[C@@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C16H19N3O2/c1-10-14(11(2)21-19-10)9-17-16(20)18-15-8-13(15)12-6-4-3-5-7-12/h3-7,13,15H,8-9H2,1-2H3,(H2,17,18,20)/t13-,15-/m1/s1
InChIKeyOFNWLNJESKXBLF-UKRRQHHQSA-N
XLogP2.65
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

trans-(1S,2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 97314365
1-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]urea
CID 97030496
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 79234307
1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea
CID 47850579
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]-2-phenylcyclopropane-1-carboxylic acid
CID 166258805
1-[(R)-cyclopropyl(phenyl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea
CID 97314286
3-ethyl-5-methyl-N-[(1R,2R)-2-phenylcyclopropyl]-1,2-oxazole-4-carboxamide
CID 97314194
3-ethyl-5-methyl-N-(2-phenylcyclopropyl)-1,2-oxazole-4-carboxamide
CID 47734044
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-phenoxyethyl)urea
CID 47863203
2-methyl-3-[(2-phenylcyclopropyl)carbamoylamino]propanoic acid
CID 55105274
1-(3-hydroxypropyl)-3-(2-phenylcyclopropyl)urea
CID 47764322
1-(2-hydroxy-3,3-dimethylbutyl)-3-(2-phenylcyclopropyl)urea
CID 111338273

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1R,2R)-2-phenylcyclopropyl]urea?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1R,2R)-2-phenylcyclopropyl]urea (CID 95302935) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1R,2R)-2-phenylcyclopropyl]urea.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1R,2R)-2-phenylcyclopropyl]urea?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1R,2R)-2-phenylcyclopropyl]urea is Cc1noc(C)c1CNC(=O)N[C@@H]1C[C@@H]1c1ccccc1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1R,2R)-2-phenylcyclopropyl]urea?
The InChIKey is OFNWLNJESKXBLF-UKRRQHHQSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-10-14(11(2)21-19-10)9-17-16(20)18-15-8-13(15)12-6-4-3-5-7-12/h3-7,13,15H,8-9H2,1-2H3,(H2,17,18,20)/t13-,15-/m1/s1.
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1R,2R)-2-phenylcyclopropyl]urea?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1R,2R)-2-phenylcyclopropyl]urea has a molecular weight of 285.35 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 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,2R)-2-phenylcyclopropyl]urea is sourced from PubChem (CID 95302935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).