N-cyclopropyl-3-(3-fluorophenyl)-5-methyl-N-(piperidine-3-carbonyl)-4H-1,2-oxazole-5-carboxamide

C20H24FN3O3 — CID 91953770

IUPACN-cyclopropyl-3-(3-fluorophenyl)-5-methyl-N-(piperidine-3-carbonyl)-4H-1,2-oxazole-5-carboxamide
SMILESCC1(C(=O)N(C(=O)C2CCCNC2)C2CC2)CC(c2cccc(F)c2)=NO1
InChIInChI=1S/C20H24FN3O3/c1-20(11-17(23-27-20)13-4-2-6-15(21)10-13)19(26)24(16-7-8-16)18(25)14-5-3-9-22-12-14/h2,4,6,10,14,16,22H,3,5,7-9,11-12H2,1H3
InChIKeyYJKGYADPBHZDCF-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.23
Rot. Bonds4

About N-cyclopropyl-3-(3-fluorophenyl)-5-methyl-N-(piperidine-3-carbonyl)-4H-1,2-oxazole-5-carboxamide

N-cyclopropyl-3-(3-fluorophenyl)-5-methyl-N-(piperidine-3-carbonyl)-4H-1,2-oxazole-5-carboxamide (PubChem CID 91953770) has the molecular formula C20H24FN3O3 and a molecular weight of 373.43 g/mol. Its IUPAC name is N-cyclopropyl-3-(3-fluorophenyl)-5-methyl-N-(piperidine-3-carbonyl)-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(3-fluorophenyl)-5-methyl-N-(piperidine-3-carbonyl)-4H-1,2-oxazole-5-carboxamide
PubChem CID91953770
Molecular FormulaC20H24FN3O3
Molecular Weight373.43 g/mol
Exact Mass373.18
IUPAC NameN-cyclopropyl-3-(3-fluorophenyl)-5-methyl-N-(piperidine-3-carbonyl)-4H-1,2-oxazole-5-carboxamide
SMILESCC1(C(=O)N(C(=O)C2CCCNC2)C2CC2)CC(c2cccc(F)c2)=NO1
InChIInChI=1S/C20H24FN3O3/c1-20(11-17(23-27-20)13-4-2-6-15(21)10-13)19(26)24(16-7-8-16)18(25)14-5-3-9-22-12-14/h2,4,6,10,14,16,22H,3,5,7-9,11-12H2,1H3
InChIKeyYJKGYADPBHZDCF-UHFFFAOYSA-N
XLogP2.23
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(3-fluorophenyl)-5-methyl-N-(piperidine-3-carbonyl)-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-3-(3-fluorophenyl)-5-methyl-N-(piperidine-3-carbonyl)-4H-1,2-oxazole-5-carboxamide (CID 91953770) is N-cyclopropyl-3-(3-fluorophenyl)-5-methyl-N-(piperidine-3-carbonyl)-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-(3-fluorophenyl)-5-methyl-N-(piperidine-3-carbonyl)-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-3-(3-fluorophenyl)-5-methyl-N-(piperidine-3-carbonyl)-4H-1,2-oxazole-5-carboxamide is CC1(C(=O)N(C(=O)C2CCCNC2)C2CC2)CC(c2cccc(F)c2)=NO1.
What is the InChIKey of N-cyclopropyl-3-(3-fluorophenyl)-5-methyl-N-(piperidine-3-carbonyl)-4H-1,2-oxazole-5-carboxamide?
The InChIKey is YJKGYADPBHZDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3/c1-20(11-17(23-27-20)13-4-2-6-15(21)10-13)19(26)24(16-7-8-16)18(25)14-5-3-9-22-12-14/h2,4,6,10,14,16,22H,3,5,7-9,11-12H2,1H3.
What are the key properties of N-cyclopropyl-3-(3-fluorophenyl)-5-methyl-N-(piperidine-3-carbonyl)-4H-1,2-oxazole-5-carboxamide?
N-cyclopropyl-3-(3-fluorophenyl)-5-methyl-N-(piperidine-3-carbonyl)-4H-1,2-oxazole-5-carboxamide has a molecular weight of 373.43 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(3-fluorophenyl)-5-methyl-N-(piperidine-3-carbonyl)-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 91953770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).