(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone

C16H19N3O3 — CID 25162370

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C16H19N3O3/c1-11-15(12(2)22-17-11)16(21)19-9-7-18(8-10-19)13-5-3-4-6-14(13)20/h3-6,20H,7-10H2,1-2H3
InChIKeyBYZBNCODGHFKJU-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.96
Rot. Bonds2

About (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone

(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone (PubChem CID 25162370) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
PubChem CID25162370
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C16H19N3O3/c1-11-15(12(2)22-17-11)16(21)19-9-7-18(8-10-19)13-5-3-4-6-14(13)20/h3-6,20H,7-10H2,1-2H3
InChIKeyBYZBNCODGHFKJU-UHFFFAOYSA-N
XLogP1.96
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-Dimethylisoxazol-4-yl 4-(2-methoxyphenyl)piperazinyl ketone
CID 2741374
(4-Benzylpiperazino)(3,5-dimethyl-4-isoxazolyl)methanone
CID 1471387
Methanone, (3,5-dimethyl-4-isoxazolyl)[4-(2-ethoxyphenyl)-1-piperazinyl]-
CID 1247470
Methanone, (3-ethyl-5-methyl-4-isoxazolyl)[4-(4-nitrophenyl)-1-piperazinyl]-
CID 9141982
(3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 3234726
1-{1-[(3-Ethyl-5-methyl-4-isoxazolyl)carbonyl]-3-piperidinyl}-4-(4-fluorophenyl)piperazine
CID 24791035
(3,5-Dimethyl-4-isoxazolyl)(4-phenylpiperazino)methanone
CID 2304310
(3,5-Dimethyl-1,2-oxazol-4-yl)-(2-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 3234109
(3,5-Dimethyl-1,2-oxazol-4-yl)-(2-phenyl-2,7-diazaspiro[3.5]nonan-7-yl)methanone
CID 3235362
[4-(2-Ethoxyphenyl)piperazin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone
CID 9068979
(3-Ethyl-5-methyl-1,2-oxazol-4-yl)-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 24816995
3,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2-oxazole-4-carboxamide
CID 38810246

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone (CID 25162370) is (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone is Cc1noc(C)c1C(=O)N1CCN(c2ccccc2O)CC1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone?
The InChIKey is BYZBNCODGHFKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-11-15(12(2)22-17-11)16(21)19-9-7-18(8-10-19)13-5-3-4-6-14(13)20/h3-6,20H,7-10H2,1-2H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone has a molecular weight of 301.35 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 25162370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).