1-[(1S,2S)-2-(2-chlorophenyl)cyclopropyl]-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]urea

C16H17ClN4O2 — CID 95336952

IUPAC1-[(1S,2S)-2-(2-chlorophenyl)cyclopropyl]-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]urea
SMILESO=C(NCc1nc(C2CC2)no1)N[C@H]1C[C@H]1c1ccccc1Cl
InChIInChI=1S/C16H17ClN4O2/c17-12-4-2-1-3-10(12)11-7-13(11)19-16(22)18-8-14-20-15(21-23-14)9-5-6-9/h1-4,9,11,13H,5-8H2,(H2,18,19,22)/t11-,13-/m0/s1
InChIKeyVTSZAYBDNYNGJT-AAEUAGOBSA-N
MW332.79 g/mol
LogP2.96
Rot. Bonds5

About 1-[(1S,2S)-2-(2-chlorophenyl)cyclopropyl]-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]urea

1-[(1S,2S)-2-(2-chlorophenyl)cyclopropyl]-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]urea (PubChem CID 95336952) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is 1-[(1S,2S)-2-(2-chlorophenyl)cyclopropyl]-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-[(1S,2S)-2-(2-chlorophenyl)cyclopropyl]-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]urea
PubChem CID95336952
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC Name1-[(1S,2S)-2-(2-chlorophenyl)cyclopropyl]-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]urea
SMILESO=C(NCc1nc(C2CC2)no1)N[C@H]1C[C@H]1c1ccccc1Cl
InChIInChI=1S/C16H17ClN4O2/c17-12-4-2-1-3-10(12)11-7-13(11)19-16(22)18-8-14-20-15(21-23-14)9-5-6-9/h1-4,9,11,13H,5-8H2,(H2,18,19,22)/t11-,13-/m0/s1
InChIKeyVTSZAYBDNYNGJT-AAEUAGOBSA-N
XLogP2.96
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(1S,2S)-2-(2-chlorophenyl)cyclopropyl]-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]urea with MolForge

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Related Compounds

(E)-3-(2-chlorophenyl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]but-2-enamide
CID 98476326
1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-[1-(2,4-dichlorophenyl)ethyl]urea
CID 60543591
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-2-phenyl-1H-imidazole-4-carboxamide
CID 122566735
(3S)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-phenoxypyrrolidine-1-carboxamide
CID 125443249
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-phenylcyclohexyl)urea
CID 56823999
1-(2-chlorophenyl)-N-[[3-(thian-4-yl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide
CID 122160549
N-[3-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]phenyl]acetamide
CID 118788592
2-[5-[(1R,2R)-2-(2-chlorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]-N-cyclopentylacetamide
CID 95899316
2-[5-[2-(2-chlorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]-N-cyclopentylacetamide
CID 71876197
3,4-dichloro-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 47063641
N-[2-(2-chlorophenyl)cyclopropyl]-2-methoxyacetamide
CID 90019460
N-[(1S,2R)-2-(2-chlorophenyl)cyclopropyl]-2-methoxyacetamide
CID 90020152

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S)-2-(2-chlorophenyl)cyclopropyl]-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]urea?
The IUPAC name of 1-[(1S,2S)-2-(2-chlorophenyl)cyclopropyl]-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]urea (CID 95336952) is 1-[(1S,2S)-2-(2-chlorophenyl)cyclopropyl]-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]urea.
What is the SMILES notation for 1-[(1S,2S)-2-(2-chlorophenyl)cyclopropyl]-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]urea?
The canonical SMILES for 1-[(1S,2S)-2-(2-chlorophenyl)cyclopropyl]-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]urea is O=C(NCc1nc(C2CC2)no1)N[C@H]1C[C@H]1c1ccccc1Cl.
What is the InChIKey of 1-[(1S,2S)-2-(2-chlorophenyl)cyclopropyl]-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]urea?
The InChIKey is VTSZAYBDNYNGJT-AAEUAGOBSA-N. The full InChI is InChI=1S/C16H17ClN4O2/c17-12-4-2-1-3-10(12)11-7-13(11)19-16(22)18-8-14-20-15(21-23-14)9-5-6-9/h1-4,9,11,13H,5-8H2,(H2,18,19,22)/t11-,13-/m0/s1.
What are the key properties of 1-[(1S,2S)-2-(2-chlorophenyl)cyclopropyl]-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]urea?
1-[(1S,2S)-2-(2-chlorophenyl)cyclopropyl]-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]urea has a molecular weight of 332.79 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S)-2-(2-chlorophenyl)cyclopropyl]-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]urea is sourced from PubChem (CID 95336952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).