1-[4-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]-3,3-diphenylpropan-1-one

C30H31N3O3 — CID 24853480

IUPAC1-[4-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
SMILESCOc1ccccc1-c1cc(CN2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)on1
InChIInChI=1S/C30H31N3O3/c1-35-29-15-9-8-14-26(29)28-20-25(36-31-28)22-32-16-18-33(19-17-32)30(34)21-27(23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-15,20,27H,16-19,21-22H2,1H3
InChIKeyJQDWMKGKGSZRPD-UHFFFAOYSA-N
MW481.60 g/mol
LogP5.22
Rot. Bonds8

About 1-[4-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]-3,3-diphenylpropan-1-one

1-[4-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]-3,3-diphenylpropan-1-one (PubChem CID 24853480) has the molecular formula C30H31N3O3 and a molecular weight of 481.60 g/mol. Its IUPAC name is 1-[4-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]-3,3-diphenylpropan-1-one.

Molecular Properties

Compound Name1-[4-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
PubChem CID24853480
Molecular FormulaC30H31N3O3
Molecular Weight481.60 g/mol
Exact Mass481.24
IUPAC Name1-[4-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
SMILESCOc1ccccc1-c1cc(CN2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)on1
InChIInChI=1S/C30H31N3O3/c1-35-29-15-9-8-14-26(29)28-20-25(36-31-28)22-32-16-18-33(19-17-32)30(34)21-27(23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-15,20,27H,16-19,21-22H2,1H3
InChIKeyJQDWMKGKGSZRPD-UHFFFAOYSA-N
XLogP5.22
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.60
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]-3,3-diphenylpropan-1-one with MolForge

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Related Compounds

1-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-3,3-diphenylpropan-1-one
CID 121096639
(2-methoxyphenyl)-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 34555816
2-(4-fluorophenoxy)-1-[4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone
CID 78877405
(3R)-3-(2-methoxyphenyl)-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 29105223
3-(3-chloro-4-methoxyphenyl)-1-(4-ethylpiperazin-1-yl)-3-phenylpropan-1-one
CID 110408508
1-[4-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 30760408
5-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-3-(2-methoxyphenyl)-1,2-oxazole
CID 24585672
3,3-diphenyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 14960357
5-[(2-bromophenyl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2-oxazole
CID 24585123
2-[4-methoxy-3-[5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]phenyl]ethanol
CID 169196793
N-[4-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-4-oxobutan-2-yl]benzamide
CID 51271176
N-[2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]ethyl]-3,4,5-trimethoxybenzamide
CID 10029987

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]-3,3-diphenylpropan-1-one?
The IUPAC name of 1-[4-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]-3,3-diphenylpropan-1-one (CID 24853480) is 1-[4-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]-3,3-diphenylpropan-1-one.
What is the SMILES notation for 1-[4-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]-3,3-diphenylpropan-1-one?
The canonical SMILES for 1-[4-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]-3,3-diphenylpropan-1-one is COc1ccccc1-c1cc(CN2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)on1.
What is the InChIKey of 1-[4-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]-3,3-diphenylpropan-1-one?
The InChIKey is JQDWMKGKGSZRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O3/c1-35-29-15-9-8-14-26(29)28-20-25(36-31-28)22-32-16-18-33(19-17-32)30(34)21-27(23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-15,20,27H,16-19,21-22H2,1H3.
What are the key properties of 1-[4-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]-3,3-diphenylpropan-1-one?
1-[4-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]-3,3-diphenylpropan-1-one has a molecular weight of 481.60 g/mol, XLogP of 5.22, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]-3,3-diphenylpropan-1-one is sourced from PubChem (CID 24853480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).