1-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-one

C18H21N3O3 — CID 75493464

IUPAC1-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-one
SMILESCc1noc(CCCC(=O)N2CC=C(c3ccc(O)cc3)CC2)n1
InChIInChI=1S/C18H21N3O3/c1-13-19-17(24-20-13)3-2-4-18(23)21-11-9-15(10-12-21)14-5-7-16(22)8-6-14/h5-9,22H,2-4,10-12H2,1H3
InChIKeyWRLSHKZJEORZRD-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.72
Rot. Bonds5

About 1-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-one

1-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-one (PubChem CID 75493464) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 1-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-one.

Molecular Properties

Compound Name1-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-one
PubChem CID75493464
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name1-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-one
SMILESCc1noc(CCCC(=O)N2CC=C(c3ccc(O)cc3)CC2)n1
InChIInChI=1S/C18H21N3O3/c1-13-19-17(24-20-13)3-2-4-18(23)21-11-9-15(10-12-21)14-5-7-16(22)8-6-14/h5-9,22H,2-4,10-12H2,1H3
InChIKeyWRLSHKZJEORZRD-UHFFFAOYSA-N
XLogP2.72
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-acetyl-1,4-diazepan-1-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 71895509
1-(3-hydroxyazetidin-1-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 71853002
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 46421317
1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]-1,4-diazepan-5-one
CID 62046417
N-(2-ethylphenyl)-2-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]piperazin-1-yl]acetamide
CID 55789750
N-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]-4-methyl-N-phenylbenzenesulfonamide
CID 112803154
4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(3-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one
CID 86823272
1-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 55713045
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-one;hydrochloride
CID 120747963
4-(2-methyl-1H-indol-3-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
CID 10316372
4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]butan-1-one
CID 94174272
4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]butan-1-one
CID 94112164

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-one?
The IUPAC name of 1-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-one (CID 75493464) is 1-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-one.
What is the SMILES notation for 1-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-one?
The canonical SMILES for 1-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-one is Cc1noc(CCCC(=O)N2CC=C(c3ccc(O)cc3)CC2)n1.
What is the InChIKey of 1-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-one?
The InChIKey is WRLSHKZJEORZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-13-19-17(24-20-13)3-2-4-18(23)21-11-9-15(10-12-21)14-5-7-16(22)8-6-14/h5-9,22H,2-4,10-12H2,1H3.
What are the key properties of 1-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-one?
1-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-one has a molecular weight of 327.38 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-one is sourced from PubChem (CID 75493464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).