(4-benzylpiperidin-1-yl)-(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)methanone

C20H26N2O2 — CID 110684703

IUPAC(4-benzylpiperidin-1-yl)-(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)methanone
SMILESCc1nc(C(C)C)c(C(=O)N2CCC(Cc3ccccc3)CC2)o1
InChIInChI=1S/C20H26N2O2/c1-14(2)18-19(24-15(3)21-18)20(23)22-11-9-17(10-12-22)13-16-7-5-4-6-8-16/h4-8,14,17H,9-13H2,1-3H3
InChIKeyNYQLDACPCOJRQO-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.20
Rot. Bonds4

About (4-benzylpiperidin-1-yl)-(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)methanone

(4-benzylpiperidin-1-yl)-(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)methanone (PubChem CID 110684703) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)methanone
PubChem CID110684703
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name(4-benzylpiperidin-1-yl)-(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)methanone
SMILESCc1nc(C(C)C)c(C(=O)N2CCC(Cc3ccccc3)CC2)o1
InChIInChI=1S/C20H26N2O2/c1-14(2)18-19(24-15(3)21-18)20(23)22-11-9-17(10-12-22)13-16-7-5-4-6-8-16/h4-8,14,17H,9-13H2,1-3H3
InChIKeyNYQLDACPCOJRQO-UHFFFAOYSA-N
XLogP4.20
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)-pyrrolidin-1-ylmethanone
CID 110684621
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
6-(4-benzylpiperidine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide
CID 109093691
1-(4-benzylpiperidin-1-yl)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]ethanone
CID 133342561
(4-benzylpiperidin-1-yl)-(3-phenylfuran-2-yl)methanone
CID 30532143
ethyl 4-benzylpiperidine-1-carboxylate
CID 3561633
(4-benzylpiperidin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone
CID 110685777
(4-benzylpiperidin-1-yl)-(4,5-dimethyl-1H-pyrazol-3-yl)methanone
CID 110855772
3-(4-benzylpiperidine-1-carbonyl)-5,6-dimethyl-1H-pyrazin-2-one
CID 154795486
(4-benzylpiperidin-1-yl)-[5-(propan-2-ylamino)-2-pyridinyl]methanone
CID 109179716
(2S)-1-(4-benzylpiperidin-1-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-one
CID 8735182
2-amino-1-(4-benzylpiperidin-1-yl)-3-methylbutan-1-one;hydrochloride
CID 119262390

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)methanone (CID 110684703) is (4-benzylpiperidin-1-yl)-(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)methanone is Cc1nc(C(C)C)c(C(=O)N2CCC(Cc3ccccc3)CC2)o1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)methanone?
The InChIKey is NYQLDACPCOJRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-14(2)18-19(24-15(3)21-18)20(23)22-11-9-17(10-12-22)13-16-7-5-4-6-8-16/h4-8,14,17H,9-13H2,1-3H3.
What are the key properties of (4-benzylpiperidin-1-yl)-(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)methanone?
(4-benzylpiperidin-1-yl)-(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)methanone has a molecular weight of 326.44 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 110684703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).