4-(1,2-oxazol-3-yl)-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine-1-carboxamide

C19H23N3O2 — CID 138011509

IUPAC4-(1,2-oxazol-3-yl)-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine-1-carboxamide
SMILESO=C(NC[C@@H]1C[C@H]1c1ccccc1)N1CCC(c2ccon2)CC1
InChIInChI=1S/C19H23N3O2/c23-19(20-13-16-12-17(16)14-4-2-1-3-5-14)22-9-6-15(7-10-22)18-8-11-24-21-18/h1-5,8,11,15-17H,6-7,9-10,12-13H2,(H,20,23)/t16-,17-/m0/s1
InChIKeyLWSGVWJLGOGTKK-IRXDYDNUSA-N
MW325.41 g/mol
LogP3.37
Rot. Bonds4

About 4-(1,2-oxazol-3-yl)-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine-1-carboxamide

4-(1,2-oxazol-3-yl)-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine-1-carboxamide (PubChem CID 138011509) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-(1,2-oxazol-3-yl)-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1,2-oxazol-3-yl)-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine-1-carboxamide
PubChem CID138011509
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name4-(1,2-oxazol-3-yl)-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine-1-carboxamide
SMILESO=C(NC[C@@H]1C[C@H]1c1ccccc1)N1CCC(c2ccon2)CC1
InChIInChI=1S/C19H23N3O2/c23-19(20-13-16-12-17(16)14-4-2-1-3-5-14)22-9-6-15(7-10-22)18-8-11-24-21-18/h1-5,8,11,15-17H,6-7,9-10,12-13H2,(H,20,23)/t16-,17-/m0/s1
InChIKeyLWSGVWJLGOGTKK-IRXDYDNUSA-N
XLogP3.37
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(1R,2R)-2-phenylcyclopropyl]methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122015491
4-(1-hydroxyethyl)-N-[(2-phenylcyclopropyl)methyl]piperidine-1-carboxamide
CID 111438789
3-cyclopropyl-4-oxo-N-[[(1S,2S)-2-phenylcyclopropyl]methyl]imidazolidine-1-carboxamide
CID 164626725
(3S)-N-ethyl-3-[[(1R,2S)-2-phenylcyclopropyl]methylcarbamoylamino]pyrrolidine-1-carboxamide
CID 97028910
N-[(2-phenylcyclopropyl)methyl]acetamide
CID 70274109
1-[(2-phenylcyclohexyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122016810
4-(1,2-oxazol-3-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide
CID 146139777
1-cyclopropyl-3-[[(1R,2S)-2-phenylcyclopropyl]methyl]urea
CID 97081607
N-[2-(methoxymethyl)pyrimidin-4-yl]-4-(1,2-oxazol-3-yl)piperidine-1-carboxamide
CID 136553465
4-(1,2-oxazol-3-yl)-N-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]piperidine-1-carboxamide
CID 126825466
(3aS,6aR)-N-[(2-phenylcyclohexyl)methyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole-5-carboxamide
CID 146095411
1-[[(3R,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-3-[[(1S,2S)-2-phenylcyclopropyl]methyl]urea
CID 97081613

Frequently Asked Questions

What is the IUPAC name of 4-(1,2-oxazol-3-yl)-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine-1-carboxamide?
The IUPAC name of 4-(1,2-oxazol-3-yl)-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine-1-carboxamide (CID 138011509) is 4-(1,2-oxazol-3-yl)-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(1,2-oxazol-3-yl)-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(1,2-oxazol-3-yl)-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine-1-carboxamide is O=C(NC[C@@H]1C[C@H]1c1ccccc1)N1CCC(c2ccon2)CC1.
What is the InChIKey of 4-(1,2-oxazol-3-yl)-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine-1-carboxamide?
The InChIKey is LWSGVWJLGOGTKK-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H23N3O2/c23-19(20-13-16-12-17(16)14-4-2-1-3-5-14)22-9-6-15(7-10-22)18-8-11-24-21-18/h1-5,8,11,15-17H,6-7,9-10,12-13H2,(H,20,23)/t16-,17-/m0/s1.
What are the key properties of 4-(1,2-oxazol-3-yl)-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine-1-carboxamide?
4-(1,2-oxazol-3-yl)-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine-1-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-oxazol-3-yl)-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 138011509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).