1-[2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1,3-oxazol-4-yl]-3-(2-methoxyphenyl)propan-2-one

C24H25NO5 — CID 69124555

IUPAC1-[2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1,3-oxazol-4-yl]-3-(2-methoxyphenyl)propan-2-one
SMILESCOc1ccccc1CC(=O)Cc1coc(-c2ccc(OC)c(OCC3CC3)c2)n1
InChIInChI=1S/C24H25NO5/c1-27-21-6-4-3-5-17(21)11-20(26)13-19-15-30-24(25-19)18-9-10-22(28-2)23(12-18)29-14-16-7-8-16/h3-6,9-10,12,15-16H,7-8,11,13-14H2,1-2H3
InChIKeyIQXYPWVKPLWPSS-UHFFFAOYSA-N
MW407.47 g/mol
LogP4.50
Rot. Bonds10

About 1-[2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1,3-oxazol-4-yl]-3-(2-methoxyphenyl)propan-2-one

1-[2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1,3-oxazol-4-yl]-3-(2-methoxyphenyl)propan-2-one (PubChem CID 69124555) has the molecular formula C24H25NO5 and a molecular weight of 407.47 g/mol. Its IUPAC name is 1-[2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1,3-oxazol-4-yl]-3-(2-methoxyphenyl)propan-2-one.

Molecular Properties

Compound Name1-[2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1,3-oxazol-4-yl]-3-(2-methoxyphenyl)propan-2-one
PubChem CID69124555
Molecular FormulaC24H25NO5
Molecular Weight407.47 g/mol
Exact Mass407.17
IUPAC Name1-[2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1,3-oxazol-4-yl]-3-(2-methoxyphenyl)propan-2-one
SMILESCOc1ccccc1CC(=O)Cc1coc(-c2ccc(OC)c(OCC3CC3)c2)n1
InChIInChI=1S/C24H25NO5/c1-27-21-6-4-3-5-17(21)11-20(26)13-19-15-30-24(25-19)18-9-10-22(28-2)23(12-18)29-14-16-7-8-16/h3-6,9-10,12,15-16H,7-8,11,13-14H2,1-2H3
InChIKeyIQXYPWVKPLWPSS-UHFFFAOYSA-N
XLogP4.50
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[4-(difluoromethoxy)-3-prop-2-enoxyphenyl]-1,3-oxazol-4-yl]-3-(2-ethoxyphenyl)propan-2-one
CID 69124952
3-[2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1,3-oxazol-4-yl]-3-(2-prop-2-enoxyphenyl)propanal
CID 87705854
3-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-1-[2-(2-hydroxyethoxy)phenyl]propan-1-one
CID 159743912
[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]methanamine;hydrochloride
CID 175913687
N-[[2-(3,4-dimethoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-ethoxy-N-methylbenzamide
CID 68983058
[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methanamine
CID 68981656
1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(2-phenyl-1,3-oxazol-4-yl)ethanone
CID 42887096
3-(2-methoxyphenyl)-2-[[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]-3-oxopropanoic acid
CID 150066190
3-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1H-pyrazole-5-carboxylic acid
CID 117465686
1-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 111980814
2-ethoxy-N-[[2-[3-(3-hydroxypropyl)-4-methoxyphenyl]-1,3-oxazol-4-yl]methyl]benzamide
CID 141337828
[2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-4-[(2,4-difluorophenyl)methylcarbamoyl]-1,3-oxazol-5-yl]methyl carbamate
CID 174983024

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1,3-oxazol-4-yl]-3-(2-methoxyphenyl)propan-2-one?
The IUPAC name of 1-[2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1,3-oxazol-4-yl]-3-(2-methoxyphenyl)propan-2-one (CID 69124555) is 1-[2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1,3-oxazol-4-yl]-3-(2-methoxyphenyl)propan-2-one.
What is the SMILES notation for 1-[2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1,3-oxazol-4-yl]-3-(2-methoxyphenyl)propan-2-one?
The canonical SMILES for 1-[2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1,3-oxazol-4-yl]-3-(2-methoxyphenyl)propan-2-one is COc1ccccc1CC(=O)Cc1coc(-c2ccc(OC)c(OCC3CC3)c2)n1.
What is the InChIKey of 1-[2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1,3-oxazol-4-yl]-3-(2-methoxyphenyl)propan-2-one?
The InChIKey is IQXYPWVKPLWPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO5/c1-27-21-6-4-3-5-17(21)11-20(26)13-19-15-30-24(25-19)18-9-10-22(28-2)23(12-18)29-14-16-7-8-16/h3-6,9-10,12,15-16H,7-8,11,13-14H2,1-2H3.
What are the key properties of 1-[2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1,3-oxazol-4-yl]-3-(2-methoxyphenyl)propan-2-one?
1-[2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1,3-oxazol-4-yl]-3-(2-methoxyphenyl)propan-2-one has a molecular weight of 407.47 g/mol, XLogP of 4.50, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1,3-oxazol-4-yl]-3-(2-methoxyphenyl)propan-2-one is sourced from PubChem (CID 69124555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).