3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[4-(4-hydroxybenzoyl)piperidin-1-yl]propan-1-one

C19H21ClN2O4 — CID 51127557

IUPAC3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[4-(4-hydroxybenzoyl)piperidin-1-yl]propan-1-one
SMILESCc1noc(Cl)c1CCC(=O)N1CCC(C(=O)c2ccc(O)cc2)CC1
InChIInChI=1S/C19H21ClN2O4/c1-12-16(19(20)26-21-12)6-7-17(24)22-10-8-14(9-11-22)18(25)13-2-4-15(23)5-3-13/h2-5,14,23H,6-11H2,1H3
InChIKeyOJOOAYHMXHONGG-UHFFFAOYSA-N
MW376.84 g/mol
LogP3.40
Rot. Bonds5

About 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[4-(4-hydroxybenzoyl)piperidin-1-yl]propan-1-one

3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[4-(4-hydroxybenzoyl)piperidin-1-yl]propan-1-one (PubChem CID 51127557) has the molecular formula C19H21ClN2O4 and a molecular weight of 376.84 g/mol. Its IUPAC name is 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[4-(4-hydroxybenzoyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[4-(4-hydroxybenzoyl)piperidin-1-yl]propan-1-one
PubChem CID51127557
Molecular FormulaC19H21ClN2O4
Molecular Weight376.84 g/mol
Exact Mass376.12
IUPAC Name3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[4-(4-hydroxybenzoyl)piperidin-1-yl]propan-1-one
SMILESCc1noc(Cl)c1CCC(=O)N1CCC(C(=O)c2ccc(O)cc2)CC1
InChIInChI=1S/C19H21ClN2O4/c1-12-16(19(20)26-21-12)6-7-17(24)22-10-8-14(9-11-22)18(25)13-2-4-15(23)5-3-13/h2-5,14,23H,6-11H2,1H3
InChIKeyOJOOAYHMXHONGG-UHFFFAOYSA-N
XLogP3.40
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]propan-1-one
CID 25476995
1-[(3R)-3-aminopyrrolidin-1-yl]-3-(5-chloro-3-methyl-1,2-oxazol-4-yl)propan-1-one
CID 119409653
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one
CID 95758842
1-(4-benzoylpiperidin-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 18133741
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(2S)-2-phenylmorpholin-4-yl]propan-1-one
CID 95141971
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 119395228
1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 51332191
3-(2,4-dimethylphenoxy)-1-[4-(4-hydroxybenzoyl)piperidin-1-yl]propan-1-one
CID 78851712
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 41307378
N-(2-aminoethyl)-1-[3-(5-chloro-3-methyl-1,2-oxazol-4-yl)propanoyl]piperidine-3-carboxamide
CID 119479646
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]propan-1-one
CID 95590971
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[4-(4-methylbenzoyl)piperidin-1-yl]propan-1-one
CID 55956338

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[4-(4-hydroxybenzoyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[4-(4-hydroxybenzoyl)piperidin-1-yl]propan-1-one (CID 51127557) is 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[4-(4-hydroxybenzoyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[4-(4-hydroxybenzoyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[4-(4-hydroxybenzoyl)piperidin-1-yl]propan-1-one is Cc1noc(Cl)c1CCC(=O)N1CCC(C(=O)c2ccc(O)cc2)CC1.
What is the InChIKey of 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[4-(4-hydroxybenzoyl)piperidin-1-yl]propan-1-one?
The InChIKey is OJOOAYHMXHONGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4/c1-12-16(19(20)26-21-12)6-7-17(24)22-10-8-14(9-11-22)18(25)13-2-4-15(23)5-3-13/h2-5,14,23H,6-11H2,1H3.
What are the key properties of 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[4-(4-hydroxybenzoyl)piperidin-1-yl]propan-1-one?
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[4-(4-hydroxybenzoyl)piperidin-1-yl]propan-1-one has a molecular weight of 376.84 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[4-(4-hydroxybenzoyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 51127557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).