N-[1-(4-fluorophenyl)ethyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide

C17H20FN3O2 — CID 3871368

IUPACN-[1-(4-fluorophenyl)ethyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
SMILESCC(NC(=O)c1coc(C2CCCNC2)n1)c1ccc(F)cc1
InChIInChI=1S/C17H20FN3O2/c1-11(12-4-6-14(18)7-5-12)20-16(22)15-10-23-17(21-15)13-3-2-8-19-9-13/h4-7,10-11,13,19H,2-3,8-9H2,1H3,(H,20,22)
InChIKeyVWRMQTPDFFSQGR-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.77
Rot. Bonds4

About N-[1-(4-fluorophenyl)ethyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide

N-[1-(4-fluorophenyl)ethyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide (PubChem CID 3871368) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
PubChem CID3871368
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
SMILESCC(NC(=O)c1coc(C2CCCNC2)n1)c1ccc(F)cc1
InChIInChI=1S/C17H20FN3O2/c1-11(12-4-6-14(18)7-5-12)20-16(22)15-10-23-17(21-15)13-3-2-8-19-9-13/h4-7,10-11,13,19H,2-3,8-9H2,1H3,(H,20,22)
InChIKeyVWRMQTPDFFSQGR-UHFFFAOYSA-N
XLogP2.77
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-phenylethyl)-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3868751
N-[(2,4-difluorophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
CID 3770409
N-(3,3-diphenylpropyl)-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
CID 3846076
(3R)-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 81139962
N-[(4-bromophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
CID 3846077
N-(3-bromophenyl)-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
CID 5168956
N-[2-(4-methoxyphenyl)ethyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
CID 3868746
ethyl 5-(diaminomethylideneamino)-2-[(2-piperidin-3-yl-1,3-oxazole-4-carbonyl)amino]pentanoate
CID 3836348
N-[(3-bromophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
CID 3846083
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-2-piperidin-3-ylpropanamide
CID 83200383
2-N,6-N-bis[1-(4-fluorophenyl)ethyl]pyridine-2,6-dicarboxamide
CID 46430353
N-[(1S)-1-(4-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 81350122

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide (CID 3871368) is N-[1-(4-fluorophenyl)ethyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide is CC(NC(=O)c1coc(C2CCCNC2)n1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide?
The InChIKey is VWRMQTPDFFSQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-11(12-4-6-14(18)7-5-12)20-16(22)15-10-23-17(21-15)13-3-2-8-19-9-13/h4-7,10-11,13,19H,2-3,8-9H2,1H3,(H,20,22).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide?
N-[1-(4-fluorophenyl)ethyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide has a molecular weight of 317.36 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3871368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).