3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]propan-1-one

C19H25N3O3 — CID 125013128

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
SMILESCOc1ccc([C@H]2CNCCN2C(=O)CCc2c(C)noc2C)cc1
InChIInChI=1S/C19H25N3O3/c1-13-17(14(2)25-21-13)8-9-19(23)22-11-10-20-12-18(22)15-4-6-16(24-3)7-5-15/h4-7,18,20H,8-12H2,1-3H3/t18-/m1/s1
InChIKeyWCXNQTVDMYMFFU-GOSISDBHSA-N
MW343.43 g/mol
LogP2.41
Rot. Bonds5

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]propan-1-one

3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]propan-1-one (PubChem CID 125013128) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
PubChem CID125013128
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
SMILESCOc1ccc([C@H]2CNCCN2C(=O)CCc2c(C)noc2C)cc1
InChIInChI=1S/C19H25N3O3/c1-13-17(14(2)25-21-13)8-9-19(23)22-11-10-20-12-18(22)15-4-6-16(24-3)7-5-15/h4-7,18,20H,8-12H2,1-3H3/t18-/m1/s1
InChIKeyWCXNQTVDMYMFFU-GOSISDBHSA-N
XLogP2.41
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one;hydrochloride
CID 120739649
3-(1,5-dimethylpyrazol-4-yl)-1-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 124983434
3-(2-fluorophenyl)-1-[2-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 110109408
1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 124958227
1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 124940745
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]propan-1-one
CID 25476995
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-phenylpyrrolidin-1-yl)propan-1-one
CID 75459962
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-phenylpyrrolidin-1-yl]propan-1-one
CID 94578579
1-[6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
CID 43949117
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]propan-1-one
CID 100672102
2-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 124983690
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 8639159

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]propan-1-one (CID 125013128) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]propan-1-one is COc1ccc([C@H]2CNCCN2C(=O)CCc2c(C)noc2C)cc1.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]propan-1-one?
The InChIKey is WCXNQTVDMYMFFU-GOSISDBHSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-13-17(14(2)25-21-13)8-9-19(23)22-11-10-20-12-18(22)15-4-6-16(24-3)7-5-15/h4-7,18,20H,8-12H2,1-3H3/t18-/m1/s1.
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]propan-1-one?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]propan-1-one has a molecular weight of 343.43 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 125013128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).