5-(3-chlorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1,2-oxazole-3-carboxamide

C23H24ClN3O3 — CID 56554888

IUPAC5-(3-chlorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1ccc(CN2CCC(O)CC2)cc1)c1cc(-c2cccc(Cl)c2)on1
InChIInChI=1S/C23H24ClN3O3/c24-19-3-1-2-18(12-19)22-13-21(26-30-22)23(29)25-14-16-4-6-17(7-5-16)15-27-10-8-20(28)9-11-27/h1-7,12-13,20,28H,8-11,14-15H2,(H,25,29)
InChIKeyLWRPKKQNMPRCBC-UHFFFAOYSA-N
MW425.92 g/mol
LogP3.88
Rot. Bonds6

About 5-(3-chlorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1,2-oxazole-3-carboxamide

5-(3-chlorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 56554888) has the molecular formula C23H24ClN3O3 and a molecular weight of 425.92 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1,2-oxazole-3-carboxamide
PubChem CID56554888
Molecular FormulaC23H24ClN3O3
Molecular Weight425.92 g/mol
Exact Mass425.15
IUPAC Name5-(3-chlorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1ccc(CN2CCC(O)CC2)cc1)c1cc(-c2cccc(Cl)c2)on1
InChIInChI=1S/C23H24ClN3O3/c24-19-3-1-2-18(12-19)22-13-21(26-30-22)23(29)25-14-16-4-6-17(7-5-16)15-27-10-8-20(28)9-11-27/h1-7,12-13,20,28H,8-11,14-15H2,(H,25,29)
InChIKeyLWRPKKQNMPRCBC-UHFFFAOYSA-N
XLogP3.88
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 56552077
5-(3-chlorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 110908974
5-(3-chlorophenyl)-N-(2-hydroxyethyl)-1,2-oxazole-3-carboxamide
CID 78862555
5-(3-chlorophenyl)-N-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-1,2-oxazole-3-carboxamide
CID 55859531
2-(3-chlorophenoxy)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 56551881
2-(2-fluorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 56552186
N-(2-amino-2-methylpropyl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 119630177
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-phenylthiophene-2-carboxamide
CID 56552203
5-(4-chlorophenyl)-N-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide
CID 46952038
5-(4-fluorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]thiophene-2-carboxamide
CID 56552143
6-chloro-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-methylquinoline-3-carboxamide
CID 56551657
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-1-[(3-chlorophenyl)methyl]piperidine-4-carboxamide
CID 43917657

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(3-chlorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1,2-oxazole-3-carboxamide (CID 56554888) is 5-(3-chlorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(3-chlorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(3-chlorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1,2-oxazole-3-carboxamide is O=C(NCc1ccc(CN2CCC(O)CC2)cc1)c1cc(-c2cccc(Cl)c2)on1.
What is the InChIKey of 5-(3-chlorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is LWRPKKQNMPRCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3/c24-19-3-1-2-18(12-19)22-13-21(26-30-22)23(29)25-14-16-4-6-17(7-5-16)15-27-10-8-20(28)9-11-27/h1-7,12-13,20,28H,8-11,14-15H2,(H,25,29).
What are the key properties of 5-(3-chlorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1,2-oxazole-3-carboxamide?
5-(3-chlorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 425.92 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 56554888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).