1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide

C22H24ClN3O3 — CID 3236063

IUPAC1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
SMILESCc1oc(-c2cccc(Cl)c2)nc1CN1CCC(C(=O)NCc2ccco2)CC1
InChIInChI=1S/C22H24ClN3O3/c1-15-20(25-22(29-15)17-4-2-5-18(23)12-17)14-26-9-7-16(8-10-26)21(27)24-13-19-6-3-11-28-19/h2-6,11-12,16H,7-10,13-14H2,1H3,(H,24,27)
InChIKeyHNGOLBWFANUTTN-UHFFFAOYSA-N
MW413.91 g/mol
LogP4.42
Rot. Bonds6

About 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide

1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 3236063) has the molecular formula C22H24ClN3O3 and a molecular weight of 413.91 g/mol. Its IUPAC name is 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
PubChem CID3236063
Molecular FormulaC22H24ClN3O3
Molecular Weight413.91 g/mol
Exact Mass413.15
IUPAC Name1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
SMILESCc1oc(-c2cccc(Cl)c2)nc1CN1CCC(C(=O)NCc2ccco2)CC1
InChIInChI=1S/C22H24ClN3O3/c1-15-20(25-22(29-15)17-4-2-5-18(23)12-17)14-26-9-7-16(8-10-26)21(27)24-13-19-6-3-11-28-19/h2-6,11-12,16H,7-10,13-14H2,1H3,(H,24,27)
InChIKeyHNGOLBWFANUTTN-UHFFFAOYSA-N
XLogP4.42
TPSA71.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.91
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-cyclopentylpiperidine-4-carboxamide
CID 20859881
1-[(3-chlorophenyl)methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 25249201
1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 122175211
[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methanamine
CID 56760461
1-[(3,4-dichlorophenyl)methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 53284623
N-butyl-1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
CID 20859816
1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-cyclooctylpiperidine-3-carboxamide
CID 20859982
1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 20860003
N-[2-(azepan-1-yl)ethyl]-1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
CID 20859822
1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 53135885
N-(4-chlorophenyl)-4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide
CID 46364592
(3R)-N-[(2-chlorophenyl)methyl]-1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
CID 92662505

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide (CID 3236063) is 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide is Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC(C(=O)NCc2ccco2)CC1.
What is the InChIKey of 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is HNGOLBWFANUTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O3/c1-15-20(25-22(29-15)17-4-2-5-18(23)12-17)14-26-9-7-16(8-10-26)21(27)24-13-19-6-3-11-28-19/h2-6,11-12,16H,7-10,13-14H2,1H3,(H,24,27).
What are the key properties of 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 413.91 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 3236063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).