[(3S)-1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-3-propylpiperidin-3-yl]methanol

C20H28N2O2 — CID 97122333

IUPAC[(3S)-1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-3-propylpiperidin-3-yl]methanol
SMILESCCC[C@]1(CO)CCCN(Cc2cc(-c3ccc(C)cc3)no2)C1
InChIInChI=1S/C20H28N2O2/c1-3-9-20(15-23)10-4-11-22(14-20)13-18-12-19(21-24-18)17-7-5-16(2)6-8-17/h5-8,12,23H,3-4,9-11,13-15H2,1-2H3/t20-/m0/s1
InChIKeyGUAZXXIWVUMNGN-FQEVSTJZSA-N
MW328.46 g/mol
LogP4.02
Rot. Bonds6

About [(3S)-1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-3-propylpiperidin-3-yl]methanol

[(3S)-1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-3-propylpiperidin-3-yl]methanol (PubChem CID 97122333) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is [(3S)-1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-3-propylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-3-propylpiperidin-3-yl]methanol
PubChem CID97122333
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name[(3S)-1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-3-propylpiperidin-3-yl]methanol
SMILESCCC[C@]1(CO)CCCN(Cc2cc(-c3ccc(C)cc3)no2)C1
InChIInChI=1S/C20H28N2O2/c1-3-9-20(15-23)10-4-11-22(14-20)13-18-12-19(21-24-18)17-7-5-16(2)6-8-17/h5-8,12,23H,3-4,9-11,13-15H2,1-2H3/t20-/m0/s1
InChIKeyGUAZXXIWVUMNGN-FQEVSTJZSA-N
XLogP4.02
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(azocan-1-ylmethyl)-3-(4-methylphenyl)-1,2-oxazole
CID 55648727
[3-methyl-1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-yl]methanamine
CID 120771845
[(3S)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
CID 97151128
3-(4-methylphenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole
CID 43348712
[1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-yl]methanol
CID 62372265
3-methyl-7-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56898795
[(3R)-1-[(4-methylthiadiazol-5-yl)methyl]-3-propylpiperidin-3-yl]methanol
CID 97138293
[3-propyl-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]methanol
CID 70759213
[(3R)-1-[(3-morpholin-4-ylphenyl)methyl]-3-propylpiperidin-3-yl]methanol
CID 97122545
ethyl (3S)-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxylate
CID 95853716
(3R,4R)-3-benzyl-4-hydroxy-1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxylic acid
CID 163315573
1-[4-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 30760408

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-3-propylpiperidin-3-yl]methanol?
The IUPAC name of [(3S)-1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-3-propylpiperidin-3-yl]methanol (CID 97122333) is [(3S)-1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-3-propylpiperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-3-propylpiperidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-3-propylpiperidin-3-yl]methanol is CCC[C@]1(CO)CCCN(Cc2cc(-c3ccc(C)cc3)no2)C1.
What is the InChIKey of [(3S)-1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-3-propylpiperidin-3-yl]methanol?
The InChIKey is GUAZXXIWVUMNGN-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-3-9-20(15-23)10-4-11-22(14-20)13-18-12-19(21-24-18)17-7-5-16(2)6-8-17/h5-8,12,23H,3-4,9-11,13-15H2,1-2H3/t20-/m0/s1.
What are the key properties of [(3S)-1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-3-propylpiperidin-3-yl]methanol?
[(3S)-1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-3-propylpiperidin-3-yl]methanol has a molecular weight of 328.46 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-3-propylpiperidin-3-yl]methanol is sourced from PubChem (CID 97122333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).