(5-cyclopropyl-1,3-oxazol-4-yl)-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]methanone

C15H22N2O3 — CID 72859720

IUPAC(5-cyclopropyl-1,3-oxazol-4-yl)-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCCC1(CO)CCCN(C(=O)c2ncoc2C2CC2)C1
InChIInChI=1S/C15H22N2O3/c1-2-15(9-18)6-3-7-17(8-15)14(19)12-13(11-4-5-11)20-10-16-12/h10-11,18H,2-9H2,1H3
InChIKeyWLMACCMDPYEOJA-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.18
Rot. Bonds4

About (5-cyclopropyl-1,3-oxazol-4-yl)-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]methanone

(5-cyclopropyl-1,3-oxazol-4-yl)-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 72859720) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (5-cyclopropyl-1,3-oxazol-4-yl)-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,3-oxazol-4-yl)-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID72859720
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(5-cyclopropyl-1,3-oxazol-4-yl)-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCCC1(CO)CCCN(C(=O)c2ncoc2C2CC2)C1
InChIInChI=1S/C15H22N2O3/c1-2-15(9-18)6-3-7-17(8-15)14(19)12-13(11-4-5-11)20-10-16-12/h10-11,18H,2-9H2,1H3
InChIKeyWLMACCMDPYEOJA-UHFFFAOYSA-N
XLogP2.18
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-cyclopropyl-1,3-oxazol-4-yl)-[(1S,3R)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]methanone
CID 72886665
[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 70720563
1-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
CID 56901662
1-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-4-phenoxypiperidine-4-carboxylic acid
CID 56885721
[4-(1-adamantyl)piperazin-1-yl]-(5-cyclopropyl-1,3-oxazol-4-yl)methanone
CID 56908974
[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-(2-methylpyrimidin-5-yl)methanone
CID 97123436
[(3S)-1-[1-(5-cyclopropyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 96580317
[(3R)-3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-(2-methoxy-4-methylphenyl)methanone
CID 97142502
[(3R)-3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 97128497
1-[(4aR,7aS)-4-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]propan-1-one
CID 70707372
[(3S)-3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-[2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]methanone
CID 95206569
[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-[2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]methanone
CID 56745012

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,3-oxazol-4-yl)-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (5-cyclopropyl-1,3-oxazol-4-yl)-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]methanone (CID 72859720) is (5-cyclopropyl-1,3-oxazol-4-yl)-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1,3-oxazol-4-yl)-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1,3-oxazol-4-yl)-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]methanone is CCC1(CO)CCCN(C(=O)c2ncoc2C2CC2)C1.
What is the InChIKey of (5-cyclopropyl-1,3-oxazol-4-yl)-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is WLMACCMDPYEOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-2-15(9-18)6-3-7-17(8-15)14(19)12-13(11-4-5-11)20-10-16-12/h10-11,18H,2-9H2,1H3.
What are the key properties of (5-cyclopropyl-1,3-oxazol-4-yl)-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]methanone?
(5-cyclopropyl-1,3-oxazol-4-yl)-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 278.35 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,3-oxazol-4-yl)-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 72859720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).