1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidine-4-carbonitrile

C12H15N3O2 — CID 49063486

IUPAC1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidine-4-carbonitrile
SMILESCc1noc(C)c1C(=O)N1CCC(C#N)CC1
InChIInChI=1S/C12H15N3O2/c1-8-11(9(2)17-14-8)12(16)15-5-3-10(7-13)4-6-15/h10H,3-6H2,1-2H3
InChIKeySQPKXKYXJVBQBG-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.67
Rot. Bonds1

About 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidine-4-carbonitrile

1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidine-4-carbonitrile (PubChem CID 49063486) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidine-4-carbonitrile
PubChem CID49063486
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidine-4-carbonitrile
SMILESCc1noc(C)c1C(=O)N1CCC(C#N)CC1
InChIInChI=1S/C12H15N3O2/c1-8-11(9(2)17-14-8)12(16)15-5-3-10(7-13)4-6-15/h10H,3-6H2,1-2H3
InChIKeySQPKXKYXJVBQBG-UHFFFAOYSA-N
XLogP1.67
TPSA70.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 46446266
3-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]propanoic acid
CID 62215789
(7-tert-butyl-1,4-oxazepan-4-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 138009760
1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)piperidine-4-carbonitrile
CID 49062645
(3,5-dimethyl-1,2-oxazol-4-yl)-(3-hydroxyazetidin-1-yl)methanone
CID 63105652
(4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 120817861
4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 38725800
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 96500616
1-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947583
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 91786172
4-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,4-diazepane-1-carbonyl]benzonitrile
CID 137342905
2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-6-methyl-1H-pyridin-4-one
CID 110245983

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidine-4-carbonitrile?
The IUPAC name of 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidine-4-carbonitrile (CID 49063486) is 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidine-4-carbonitrile.
What is the SMILES notation for 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidine-4-carbonitrile?
The canonical SMILES for 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidine-4-carbonitrile is Cc1noc(C)c1C(=O)N1CCC(C#N)CC1.
What is the InChIKey of 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidine-4-carbonitrile?
The InChIKey is SQPKXKYXJVBQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8-11(9(2)17-14-8)12(16)15-5-3-10(7-13)4-6-15/h10H,3-6H2,1-2H3.
What are the key properties of 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidine-4-carbonitrile?
1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidine-4-carbonitrile has a molecular weight of 233.27 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidine-4-carbonitrile is sourced from PubChem (CID 49063486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).