N-(3,3-diphenylpropyl)-2-piperidin-3-yl-1,3-oxazole-4-carboxamide

C24H27N3O2 — CID 3846076

IUPACN-(3,3-diphenylpropyl)-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)c1coc(C2CCCNC2)n1
InChIInChI=1S/C24H27N3O2/c28-23(22-17-29-24(27-22)20-12-7-14-25-16-20)26-15-13-21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,17,20-21,25H,7,12-16H2,(H,26,28)
InChIKeyPTLROFSDWBRCTO-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.09
Rot. Bonds7

About N-(3,3-diphenylpropyl)-2-piperidin-3-yl-1,3-oxazole-4-carboxamide

N-(3,3-diphenylpropyl)-2-piperidin-3-yl-1,3-oxazole-4-carboxamide (PubChem CID 3846076) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-2-piperidin-3-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
PubChem CID3846076
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC NameN-(3,3-diphenylpropyl)-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)c1coc(C2CCCNC2)n1
InChIInChI=1S/C24H27N3O2/c28-23(22-17-29-24(27-22)20-12-7-14-25-16-20)26-15-13-21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,17,20-21,25H,7,12-16H2,(H,26,28)
InChIKeyPTLROFSDWBRCTO-UHFFFAOYSA-N
XLogP4.09
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
CID 3868746
N-[(4-bromophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
CID 3846077
N-[(3-bromophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
CID 3846083
N-[1-(4-fluorophenyl)ethyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
CID 3871368
N-[(2,4-difluorophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
CID 3770409
N-(3-bromophenyl)-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
CID 5168956
N-(1-phenylethyl)-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3868751
N-(3-methylbutyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide
CID 3439628
N-(4-phenylbutyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide
CID 3771092
4-benzyl-2-piperidin-3-yl-1,3-oxazole
CID 115044768
N-(3,3-diphenylpropyl)-3-piperidin-3-ylbutanamide
CID 119675917
2-(1-amino-2-hydroxypropyl)-N-(3,3-diphenylpropyl)-1,3-oxazole-4-carboxamide
CID 5017733

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-2-piperidin-3-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(3,3-diphenylpropyl)-2-piperidin-3-yl-1,3-oxazole-4-carboxamide (CID 3846076) is N-(3,3-diphenylpropyl)-2-piperidin-3-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-2-piperidin-3-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-2-piperidin-3-yl-1,3-oxazole-4-carboxamide is O=C(NCCC(c1ccccc1)c1ccccc1)c1coc(C2CCCNC2)n1.
What is the InChIKey of N-(3,3-diphenylpropyl)-2-piperidin-3-yl-1,3-oxazole-4-carboxamide?
The InChIKey is PTLROFSDWBRCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c28-23(22-17-29-24(27-22)20-12-7-14-25-16-20)26-15-13-21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,17,20-21,25H,7,12-16H2,(H,26,28).
What are the key properties of N-(3,3-diphenylpropyl)-2-piperidin-3-yl-1,3-oxazole-4-carboxamide?
N-(3,3-diphenylpropyl)-2-piperidin-3-yl-1,3-oxazole-4-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-2-piperidin-3-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3846076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).