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

C18H23N3O3 — CID 3868746

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2coc(C3CCCNC3)n2)cc1
InChIInChI=1S/C18H23N3O3/c1-23-15-6-4-13(5-7-15)8-10-20-17(22)16-12-24-18(21-16)14-3-2-9-19-11-14/h4-7,12,14,19H,2-3,8-11H2,1H3,(H,20,22)
InChIKeyPCCOJPAUDQUDBK-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.12
Rot. Bonds6

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

N-[2-(4-methoxyphenyl)ethyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide (PubChem CID 3868746) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
PubChem CID3868746
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2coc(C3CCCNC3)n2)cc1
InChIInChI=1S/C18H23N3O3/c1-23-15-6-4-13(5-7-15)8-10-20-17(22)16-12-24-18(21-16)14-3-2-9-19-11-14/h4-7,12,14,19H,2-3,8-11H2,1H3,(H,20,22)
InChIKeyPCCOJPAUDQUDBK-UHFFFAOYSA-N
XLogP2.12
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-bromophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
CID 3846077
N-(3,3-diphenylpropyl)-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
CID 3846076
N-[(3-bromophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
CID 3846083
N-[(2,4-difluorophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
CID 3770409
N-(4-methoxyphenyl)-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3857041
N-[1-(4-fluorophenyl)ethyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
CID 3871368
N-(3-methoxypropyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide
CID 3665787
N-[3-(4-methoxyphenyl)propyl]piperidine-3-carboxamide
CID 119299643
6-(cyclopentylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109112117
N-(3-bromophenyl)-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
CID 5168956
2-N-[2-(4-methoxyphenyl)ethyl]-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096161
N-(4-phenylbutyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide
CID 3771092

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide (CID 3868746) is N-[2-(4-methoxyphenyl)ethyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide is COc1ccc(CCNC(=O)c2coc(C3CCCNC3)n2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide?
The InChIKey is PCCOJPAUDQUDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-23-15-6-4-13(5-7-15)8-10-20-17(22)16-12-24-18(21-16)14-3-2-9-19-11-14/h4-7,12,14,19H,2-3,8-11H2,1H3,(H,20,22).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3868746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).