(5-cyclopropyl-1,3-oxazol-4-yl)-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone

C16H24N2O3 — CID 96581457

IUPAC(5-cyclopropyl-1,3-oxazol-4-yl)-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone
SMILESCOCCC[C@H]1CCCCN1C(=O)c1ncoc1C1CC1
InChIInChI=1S/C16H24N2O3/c1-20-10-4-6-13-5-2-3-9-18(13)16(19)14-15(12-7-8-12)21-11-17-14/h11-13H,2-10H2,1H3/t13-/m1/s1
InChIKeyRCZWDRQKOCNGRN-CYBMUJFWSA-N
MW292.38 g/mol
LogP2.97
Rot. Bonds6

About (5-cyclopropyl-1,3-oxazol-4-yl)-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone

(5-cyclopropyl-1,3-oxazol-4-yl)-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone (PubChem CID 96581457) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is (5-cyclopropyl-1,3-oxazol-4-yl)-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,3-oxazol-4-yl)-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone
PubChem CID96581457
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name(5-cyclopropyl-1,3-oxazol-4-yl)-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone
SMILESCOCCC[C@H]1CCCCN1C(=O)c1ncoc1C1CC1
InChIInChI=1S/C16H24N2O3/c1-20-10-4-6-13-5-2-3-9-18(13)16(19)14-15(12-7-8-12)21-11-17-14/h11-13H,2-10H2,1H3/t13-/m1/s1
InChIKeyRCZWDRQKOCNGRN-CYBMUJFWSA-N
XLogP2.97
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,3-oxazol-4-yl)-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone?
The IUPAC name of (5-cyclopropyl-1,3-oxazol-4-yl)-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone (CID 96581457) is (5-cyclopropyl-1,3-oxazol-4-yl)-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1,3-oxazol-4-yl)-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1,3-oxazol-4-yl)-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone is COCCC[C@H]1CCCCN1C(=O)c1ncoc1C1CC1.
What is the InChIKey of (5-cyclopropyl-1,3-oxazol-4-yl)-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone?
The InChIKey is RCZWDRQKOCNGRN-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-20-10-4-6-13-5-2-3-9-18(13)16(19)14-15(12-7-8-12)21-11-17-14/h11-13H,2-10H2,1H3/t13-/m1/s1.
What are the key properties of (5-cyclopropyl-1,3-oxazol-4-yl)-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone?
(5-cyclopropyl-1,3-oxazol-4-yl)-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone has a molecular weight of 292.38 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,3-oxazol-4-yl)-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone is sourced from PubChem (CID 96581457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).