4-(4-methyl-3-oxo-1,2-oxazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide

C19H23N3O3 — CID 45269948

IUPAC4-(4-methyl-3-oxo-1,2-oxazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide
SMILESCc1c(C2CCN(C(=O)NC3CC3c3ccccc3)CC2)o[nH]c1=O
InChIInChI=1S/C19H23N3O3/c1-12-17(25-21-18(12)23)14-7-9-22(10-8-14)19(24)20-16-11-15(16)13-5-3-2-4-6-13/h2-6,14-16H,7-11H2,1H3,(H,20,24)(H,21,23)
InChIKeyGQPZWGHDZGLONB-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.72
Rot. Bonds3

About 4-(4-methyl-3-oxo-1,2-oxazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide

4-(4-methyl-3-oxo-1,2-oxazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide (PubChem CID 45269948) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-(4-methyl-3-oxo-1,2-oxazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(4-methyl-3-oxo-1,2-oxazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide
PubChem CID45269948
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name4-(4-methyl-3-oxo-1,2-oxazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide
SMILESCc1c(C2CCN(C(=O)NC3CC3c3ccccc3)CC2)o[nH]c1=O
InChIInChI=1S/C19H23N3O3/c1-12-17(25-21-18(12)23)14-7-9-22(10-8-14)19(24)20-16-11-15(16)13-5-3-2-4-6-13/h2-6,14-16H,7-11H2,1H3,(H,20,24)(H,21,23)
InChIKeyGQPZWGHDZGLONB-UHFFFAOYSA-N
XLogP2.72
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-3-oxo-1,2-oxazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide?
The IUPAC name of 4-(4-methyl-3-oxo-1,2-oxazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide (CID 45269948) is 4-(4-methyl-3-oxo-1,2-oxazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(4-methyl-3-oxo-1,2-oxazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(4-methyl-3-oxo-1,2-oxazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide is Cc1c(C2CCN(C(=O)NC3CC3c3ccccc3)CC2)o[nH]c1=O.
What is the InChIKey of 4-(4-methyl-3-oxo-1,2-oxazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide?
The InChIKey is GQPZWGHDZGLONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-12-17(25-21-18(12)23)14-7-9-22(10-8-14)19(24)20-16-11-15(16)13-5-3-2-4-6-13/h2-6,14-16H,7-11H2,1H3,(H,20,24)(H,21,23).
What are the key properties of 4-(4-methyl-3-oxo-1,2-oxazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide?
4-(4-methyl-3-oxo-1,2-oxazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-3-oxo-1,2-oxazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide is sourced from PubChem (CID 45269948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).