N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide

C19H24FN3O3 — CID 46965069

IUPACN-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCCN2CCC(O)(c3ccc(F)cc3)CC2)o1
InChIInChI=1S/C19H24FN3O3/c1-13-17(26-14(2)22-13)18(24)21-9-12-23-10-7-19(25,8-11-23)15-3-5-16(20)6-4-15/h3-6,25H,7-12H2,1-2H3,(H,21,24)
InChIKeyYPKSOEXCBUKQBI-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.14
Rot. Bonds5

About N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide

N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 46965069) has the molecular formula C19H24FN3O3 and a molecular weight of 361.42 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID46965069
Molecular FormulaC19H24FN3O3
Molecular Weight361.42 g/mol
Exact Mass361.18
IUPAC NameN-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCCN2CCC(O)(c3ccc(F)cc3)CC2)o1
InChIInChI=1S/C19H24FN3O3/c1-13-17(26-14(2)22-13)18(24)21-9-12-23-10-7-19(25,8-11-23)15-3-5-16(20)6-4-15/h3-6,25H,7-12H2,1-2H3,(H,21,24)
InChIKeyYPKSOEXCBUKQBI-UHFFFAOYSA-N
XLogP2.14
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 171671169
2-(4-fluorophenyl)-N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]acetamide
CID 46965115
2,4-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-oxazole-5-carboxamide
CID 110684800
2-(4-fluorophenyl)-N-[2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]ethyl]acetamide
CID 16673348
N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 46965126
2-(azepan-1-yl)-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]acetamide
CID 46965059
N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 46965137
2-amino-N-[2-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]ethyl]-4-fluorobenzamide
CID 21428879
N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 16673631
3-fluoro-N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide
CID 46965021
4-(dimethylamino)-N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]benzamide
CID 46965112
N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 46965111

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 46965069) is N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)NCCN2CCC(O)(c3ccc(F)cc3)CC2)o1.
What is the InChIKey of N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is YPKSOEXCBUKQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O3/c1-13-17(26-14(2)22-13)18(24)21-9-12-23-10-7-19(25,8-11-23)15-3-5-16(20)6-4-15/h3-6,25H,7-12H2,1-2H3,(H,21,24).
What are the key properties of N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 361.42 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 46965069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).