(5-cyclopropyl-1,2-oxazol-3-yl)-(2-methylpiperidin-1-yl)methanone

C13H18N2O2 — CID 22427517

IUPAC(5-cyclopropyl-1,2-oxazol-3-yl)-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1cc(C2CC2)on1
InChIInChI=1S/C13H18N2O2/c1-9-4-2-3-7-15(9)13(16)11-8-12(17-14-11)10-5-6-10/h8-10H,2-7H2,1H3
InChIKeyKVDKMTXBXMNYPD-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.57
Rot. Bonds2

About (5-cyclopropyl-1,2-oxazol-3-yl)-(2-methylpiperidin-1-yl)methanone

(5-cyclopropyl-1,2-oxazol-3-yl)-(2-methylpiperidin-1-yl)methanone (PubChem CID 22427517) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (5-cyclopropyl-1,2-oxazol-3-yl)-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,2-oxazol-3-yl)-(2-methylpiperidin-1-yl)methanone
PubChem CID22427517
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(5-cyclopropyl-1,2-oxazol-3-yl)-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1cc(C2CC2)on1
InChIInChI=1S/C13H18N2O2/c1-9-4-2-3-7-15(9)13(16)11-8-12(17-14-11)10-5-6-10/h8-10H,2-7H2,1H3
InChIKeyKVDKMTXBXMNYPD-UHFFFAOYSA-N
XLogP2.57
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106741830
(5-cyclopropyl-1,2-oxazol-3-yl)-(2,6-dimethylpiperidin-1-yl)methanone
CID 22427513
3-(2-methylazepane-1-carbonyl)-1,2-oxazole-5-carboxylic acid
CID 107369689
2-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-2-yl]acetic acid
CID 61011206
[(2S)-2-methylpiperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 92719861
(3R)-4-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-methyl-1,4-diazepan-2-one
CID 124620944
(5-cyclopropyl-1,2-oxazol-3-yl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331727
(2-methylpiperidin-1-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 3158156
methyl 1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylate
CID 43410330
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]methanone
CID 119042721
(5-cyclopropyl-1,2-oxazol-3-yl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone
CID 24685159
9-azabicyclo[6.2.0]decan-9-yl-(5-cyclopropyl-1,2-oxazol-3-yl)methanone
CID 119042459

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-(2-methylpiperidin-1-yl)methanone (CID 22427517) is (5-cyclopropyl-1,2-oxazol-3-yl)-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-cyclopropyl-1,2-oxazol-3-yl)-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for (5-cyclopropyl-1,2-oxazol-3-yl)-(2-methylpiperidin-1-yl)methanone is CC1CCCCN1C(=O)c1cc(C2CC2)on1.
What is the InChIKey of (5-cyclopropyl-1,2-oxazol-3-yl)-(2-methylpiperidin-1-yl)methanone?
The InChIKey is KVDKMTXBXMNYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-4-2-3-7-15(9)13(16)11-8-12(17-14-11)10-5-6-10/h8-10H,2-7H2,1H3.
What are the key properties of (5-cyclopropyl-1,2-oxazol-3-yl)-(2-methylpiperidin-1-yl)methanone?
(5-cyclopropyl-1,2-oxazol-3-yl)-(2-methylpiperidin-1-yl)methanone has a molecular weight of 234.30 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,2-oxazol-3-yl)-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 22427517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).