N-(4-phenyl-1,3-oxazol-2-yl)-1-prop-2-enoylpiperidine-4-carboxamide

C18H19N3O3 — CID 166417069

IUPACN-(4-phenyl-1,3-oxazol-2-yl)-1-prop-2-enoylpiperidine-4-carboxamide
SMILESC=CC(=O)N1CCC(C(=O)Nc2nc(-c3ccccc3)co2)CC1
InChIInChI=1S/C18H19N3O3/c1-2-16(22)21-10-8-14(9-11-21)17(23)20-18-19-15(12-24-18)13-6-4-3-5-7-13/h2-7,12,14H,1,8-11H2,(H,19,20,23)
InChIKeyDZUPFOUDTJXGMO-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.70
Rot. Bonds4

About N-(4-phenyl-1,3-oxazol-2-yl)-1-prop-2-enoylpiperidine-4-carboxamide

N-(4-phenyl-1,3-oxazol-2-yl)-1-prop-2-enoylpiperidine-4-carboxamide (PubChem CID 166417069) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-(4-phenyl-1,3-oxazol-2-yl)-1-prop-2-enoylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-phenyl-1,3-oxazol-2-yl)-1-prop-2-enoylpiperidine-4-carboxamide
PubChem CID166417069
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-(4-phenyl-1,3-oxazol-2-yl)-1-prop-2-enoylpiperidine-4-carboxamide
SMILESC=CC(=O)N1CCC(C(=O)Nc2nc(-c3ccccc3)co2)CC1
InChIInChI=1S/C18H19N3O3/c1-2-16(22)21-10-8-14(9-11-21)17(23)20-18-19-15(12-24-18)13-6-4-3-5-7-13/h2-7,12,14H,1,8-11H2,(H,19,20,23)
InChIKeyDZUPFOUDTJXGMO-UHFFFAOYSA-N
XLogP2.70
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-phenyl-1,3-oxazol-2-yl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 132972292
N-(2-iodophenyl)-1-prop-2-enoylpiperidine-4-carboxamide
CID 166311766
N-(4-phenyl-1,3-thiazol-2-yl)-1-prop-2-enoylazetidine-3-carboxamide
CID 170709743
N-[4-(4-benzylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]cyclopropanecarboxamide
CID 56765140
N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]-1-prop-2-enoylpiperidine-4-carboxamide
CID 166404777
N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1-prop-2-enoylpiperidine-4-carboxamide
CID 166405559
(3S)-N-benzyl-1-prop-2-enoylpyrrolidine-3-carboxamide
CID 170709592
N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-1,3-oxazol-2-yl]cyclopropanecarboxamide
CID 121110608
N-[2-(3-cyano-1,2,4-triazol-1-yl)phenyl]-1-prop-2-enoylpiperidine-4-carboxamide
CID 167941092
N-[4-(4-hydroxypiperidine-1-carbonyl)-1,3-oxazol-2-yl]cyclopropanecarboxamide
CID 121110480
1-(furan-3-carbonyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 35509215
N-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]cyclopropanecarboxamide
CID 121110475

Frequently Asked Questions

What is the IUPAC name of N-(4-phenyl-1,3-oxazol-2-yl)-1-prop-2-enoylpiperidine-4-carboxamide?
The IUPAC name of N-(4-phenyl-1,3-oxazol-2-yl)-1-prop-2-enoylpiperidine-4-carboxamide (CID 166417069) is N-(4-phenyl-1,3-oxazol-2-yl)-1-prop-2-enoylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-phenyl-1,3-oxazol-2-yl)-1-prop-2-enoylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-phenyl-1,3-oxazol-2-yl)-1-prop-2-enoylpiperidine-4-carboxamide is C=CC(=O)N1CCC(C(=O)Nc2nc(-c3ccccc3)co2)CC1.
What is the InChIKey of N-(4-phenyl-1,3-oxazol-2-yl)-1-prop-2-enoylpiperidine-4-carboxamide?
The InChIKey is DZUPFOUDTJXGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-2-16(22)21-10-8-14(9-11-21)17(23)20-18-19-15(12-24-18)13-6-4-3-5-7-13/h2-7,12,14H,1,8-11H2,(H,19,20,23).
What are the key properties of N-(4-phenyl-1,3-oxazol-2-yl)-1-prop-2-enoylpiperidine-4-carboxamide?
N-(4-phenyl-1,3-oxazol-2-yl)-1-prop-2-enoylpiperidine-4-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenyl-1,3-oxazol-2-yl)-1-prop-2-enoylpiperidine-4-carboxamide is sourced from PubChem (CID 166417069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).