[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone

C25H29N3O4 — CID 125007704

IUPAC[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone
SMILESCOc1ccccc1[C@@H]1CN(C(=O)c2cccc(OCc3c(C)noc3C)c2)CCN1C
InChIInChI=1S/C25H29N3O4/c1-17-22(18(2)32-26-17)16-31-20-9-7-8-19(14-20)25(29)28-13-12-27(3)23(15-28)21-10-5-6-11-24(21)30-4/h5-11,14,23H,12-13,15-16H2,1-4H3/t23-/m0/s1
InChIKeyUPMDPTBAXOHOGQ-QHCPKHFHSA-N
MW435.52 g/mol
LogP4.01
Rot. Bonds6

About [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone

[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone (PubChem CID 125007704) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone
PubChem CID125007704
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC Name[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone
SMILESCOc1ccccc1[C@@H]1CN(C(=O)c2cccc(OCc3c(C)noc3C)c2)CCN1C
InChIInChI=1S/C25H29N3O4/c1-17-22(18(2)32-26-17)16-31-20-9-7-8-19(14-20)25(29)28-13-12-27(3)23(15-28)21-10-5-6-11-24(21)30-4/h5-11,14,23H,12-13,15-16H2,1-4H3/t23-/m0/s1
InChIKeyUPMDPTBAXOHOGQ-QHCPKHFHSA-N
XLogP4.01
TPSA68.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 7964223
[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 29097025
[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanone
CID 41323095
[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanone
CID 41292877
(4-cyclopentylpiperazin-1-yl)-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanone
CID 134020443
[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 31729088
[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 46533897
[(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 124992452
(5-ethyl-1,2-oxazol-3-yl)-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone
CID 110109659
[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
CID 43060273
[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanone
CID 55956856
N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 55639740

Frequently Asked Questions

What is the IUPAC name of [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone?
The IUPAC name of [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone (CID 125007704) is [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone.
What is the SMILES notation for [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone?
The canonical SMILES for [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone is COc1ccccc1[C@@H]1CN(C(=O)c2cccc(OCc3c(C)noc3C)c2)CCN1C.
What is the InChIKey of [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone?
The InChIKey is UPMDPTBAXOHOGQ-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H29N3O4/c1-17-22(18(2)32-26-17)16-31-20-9-7-8-19(14-20)25(29)28-13-12-27(3)23(15-28)21-10-5-6-11-24(21)30-4/h5-11,14,23H,12-13,15-16H2,1-4H3/t23-/m0/s1.
What are the key properties of [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone?
[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone has a molecular weight of 435.52 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 125007704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).