[4-(5-tert-butyl-1,3-oxazol-2-yl)piperidin-1-yl]-(4-chlorophenyl)methanone

C19H23ClN2O2 — CID 100830572

IUPAC[4-(5-tert-butyl-1,3-oxazol-2-yl)piperidin-1-yl]-(4-chlorophenyl)methanone
SMILESCC(C)(C)c1cnc(C2CCN(C(=O)c3ccc(Cl)cc3)CC2)o1
InChIInChI=1S/C19H23ClN2O2/c1-19(2,3)16-12-21-17(24-16)13-8-10-22(11-9-13)18(23)14-4-6-15(20)7-5-14/h4-7,12-13H,8-11H2,1-3H3
InChIKeyBWYUBWQGMNPPIX-UHFFFAOYSA-N
MW346.86 g/mol
LogP4.65
Rot. Bonds2

About [4-(5-tert-butyl-1,3-oxazol-2-yl)piperidin-1-yl]-(4-chlorophenyl)methanone

[4-(5-tert-butyl-1,3-oxazol-2-yl)piperidin-1-yl]-(4-chlorophenyl)methanone (PubChem CID 100830572) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is [4-(5-tert-butyl-1,3-oxazol-2-yl)piperidin-1-yl]-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name[4-(5-tert-butyl-1,3-oxazol-2-yl)piperidin-1-yl]-(4-chlorophenyl)methanone
PubChem CID100830572
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name[4-(5-tert-butyl-1,3-oxazol-2-yl)piperidin-1-yl]-(4-chlorophenyl)methanone
SMILESCC(C)(C)c1cnc(C2CCN(C(=O)c3ccc(Cl)cc3)CC2)o1
InChIInChI=1S/C19H23ClN2O2/c1-19(2,3)16-12-21-17(24-16)13-8-10-22(11-9-13)18(23)14-4-6-15(20)7-5-14/h4-7,12-13H,8-11H2,1-3H3
InChIKeyBWYUBWQGMNPPIX-UHFFFAOYSA-N
XLogP4.65
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 59347461
(4-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728657
(4-chlorophenyl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone
CID 15290353
[1-(4-chlorobenzoyl)piperidin-4-yl]azanium
CID 7183143
[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-ethylphenyl)methanone
CID 4668115
(4-chlorophenyl)-[4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 97435789
1-(4-chlorobenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 24980605
(4-chlorophenyl)-[4-[methyl(oxan-4-yl)amino]piperidin-1-yl]methanone
CID 91916187
(4-chlorophenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone
CID 53150807
(4-chlorophenyl)-[4-[6-methyl-3-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 42852078
[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 110797025
[1-(4-chlorobenzoyl)piperidin-4-yl]carbamic acid
CID 154188443

Frequently Asked Questions

What is the IUPAC name of [4-(5-tert-butyl-1,3-oxazol-2-yl)piperidin-1-yl]-(4-chlorophenyl)methanone?
The IUPAC name of [4-(5-tert-butyl-1,3-oxazol-2-yl)piperidin-1-yl]-(4-chlorophenyl)methanone (CID 100830572) is [4-(5-tert-butyl-1,3-oxazol-2-yl)piperidin-1-yl]-(4-chlorophenyl)methanone.
What is the SMILES notation for [4-(5-tert-butyl-1,3-oxazol-2-yl)piperidin-1-yl]-(4-chlorophenyl)methanone?
The canonical SMILES for [4-(5-tert-butyl-1,3-oxazol-2-yl)piperidin-1-yl]-(4-chlorophenyl)methanone is CC(C)(C)c1cnc(C2CCN(C(=O)c3ccc(Cl)cc3)CC2)o1.
What is the InChIKey of [4-(5-tert-butyl-1,3-oxazol-2-yl)piperidin-1-yl]-(4-chlorophenyl)methanone?
The InChIKey is BWYUBWQGMNPPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-19(2,3)16-12-21-17(24-16)13-8-10-22(11-9-13)18(23)14-4-6-15(20)7-5-14/h4-7,12-13H,8-11H2,1-3H3.
What are the key properties of [4-(5-tert-butyl-1,3-oxazol-2-yl)piperidin-1-yl]-(4-chlorophenyl)methanone?
[4-(5-tert-butyl-1,3-oxazol-2-yl)piperidin-1-yl]-(4-chlorophenyl)methanone has a molecular weight of 346.86 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-tert-butyl-1,3-oxazol-2-yl)piperidin-1-yl]-(4-chlorophenyl)methanone is sourced from PubChem (CID 100830572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).