N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]-3-methyl-1,2-oxazole-5-carboxamide

C19H25N3O3 — CID 46965137

IUPACN-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1ccc(C2(O)CCN(CCNC(=O)c3cc(C)no3)CC2)cc1
InChIInChI=1S/C19H25N3O3/c1-14-3-5-16(6-4-14)19(24)7-10-22(11-8-19)12-9-20-18(23)17-13-15(2)21-25-17/h3-6,13,24H,7-12H2,1-2H3,(H,20,23)
InChIKeyLSNBDUOWTBXMDQ-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.00
Rot. Bonds5

About N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]-3-methyl-1,2-oxazole-5-carboxamide

N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 46965137) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID46965137
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1ccc(C2(O)CCN(CCNC(=O)c3cc(C)no3)CC2)cc1
InChIInChI=1S/C19H25N3O3/c1-14-3-5-16(6-4-14)19(24)7-10-22(11-8-19)12-9-20-18(23)17-13-15(2)21-25-17/h3-6,13,24H,7-12H2,1-2H3,(H,20,23)
InChIKeyLSNBDUOWTBXMDQ-UHFFFAOYSA-N
XLogP2.00
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 46965111
2-(4-fluorophenyl)-N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]acetamide
CID 46965115
N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 46965126
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]-5-propyl-1H-pyrazole-3-carboxamide
CID 16673631
4-ethoxy-N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]benzamide
CID 46965108
2-(2-chlorophenyl)-N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]acetamide
CID 46965118
N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 46965069
3-methyl-N-(3-piperazin-1-ylpropyl)-1,2-oxazole-5-carboxamide;hydrochloride
CID 119394236
N-[3-(4-benzylpiperazin-1-yl)propyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 46447531
3-methyl-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-1,2-oxazole-5-carboxamide
CID 91957130
2-(4-fluorophenyl)-N-[2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]ethyl]acetamide
CID 16673348

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]-3-methyl-1,2-oxazole-5-carboxamide (CID 46965137) is N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]-3-methyl-1,2-oxazole-5-carboxamide is Cc1ccc(C2(O)CCN(CCNC(=O)c3cc(C)no3)CC2)cc1.
What is the InChIKey of N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is LSNBDUOWTBXMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-14-3-5-16(6-4-14)19(24)7-10-22(11-8-19)12-9-20-18(23)17-13-15(2)21-25-17/h3-6,13,24H,7-12H2,1-2H3,(H,20,23).
What are the key properties of N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]-3-methyl-1,2-oxazole-5-carboxamide?
N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 46965137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).