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

C27H31NO5 — CID 151786512

IUPAC2-[2-(3-cyclopentyloxy-4-methoxyphenyl)-1,3-oxazol-4-yl]-1-(2-propoxyphenyl)propan-1-one
SMILESCCCOc1ccccc1C(=O)C(C)c1coc(-c2ccc(OC)c(OC3CCCC3)c2)n1
InChIInChI=1S/C27H31NO5/c1-4-15-31-23-12-8-7-11-21(23)26(29)18(2)22-17-32-27(28-22)19-13-14-24(30-3)25(16-19)33-20-9-5-6-10-20/h7-8,11-14,16-18,20H,4-6,9-10,15H2,1-3H3
InChIKeyRVSIKWQSEFMQCQ-UHFFFAOYSA-N
MW449.55 g/mol
LogP6.45
Rot. Bonds10

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

2-[2-(3-cyclopentyloxy-4-methoxyphenyl)-1,3-oxazol-4-yl]-1-(2-propoxyphenyl)propan-1-one (PubChem CID 151786512) has the molecular formula C27H31NO5 and a molecular weight of 449.55 g/mol. Its IUPAC name is 2-[2-(3-cyclopentyloxy-4-methoxyphenyl)-1,3-oxazol-4-yl]-1-(2-propoxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-[2-(3-cyclopentyloxy-4-methoxyphenyl)-1,3-oxazol-4-yl]-1-(2-propoxyphenyl)propan-1-one
PubChem CID151786512
Molecular FormulaC27H31NO5
Molecular Weight449.55 g/mol
Exact Mass449.22
IUPAC Name2-[2-(3-cyclopentyloxy-4-methoxyphenyl)-1,3-oxazol-4-yl]-1-(2-propoxyphenyl)propan-1-one
SMILESCCCOc1ccccc1C(=O)C(C)c1coc(-c2ccc(OC)c(OC3CCCC3)c2)n1
InChIInChI=1S/C27H31NO5/c1-4-15-31-23-12-8-7-11-21(23)26(29)18(2)22-17-32-27(28-22)19-13-14-24(30-3)25(16-19)33-20-9-5-6-10-20/h7-8,11-14,16-18,20H,4-6,9-10,15H2,1-3H3
InChIKeyRVSIKWQSEFMQCQ-UHFFFAOYSA-N
XLogP6.45
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.55
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-1,3-oxazol-4-yl]-1-(3-methyl-2-pyridinyl)propan-2-one
CID 69124570
bis[2-(3-cyclopentyloxy-4-methoxyphenyl)phenyl]methanone
CID 67693091
N-[[2-(3,4-dimethoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-ethoxy-N-methylbenzamide
CID 68983058
2-(3-butoxy-4-methoxyphenyl)-1,3-oxazole-4-carbonyl bromide
CID 118336542
1-[2-(difluoromethoxy)phenyl]ethanone;ethane;4-ethyl-2-(4-methoxy-3-propan-2-yloxyphenyl)-1,3-oxazole
CID 143566351
methyl 2-[(3-cyclopentyloxy-4-methoxyphenyl)carbamoyl]benzoate
CID 19428226
N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-propoxybenzamide
CID 7646628
1-(2-ethoxy-4-fluorophenyl)-1-[2-(3-ethoxy-4-methoxyphenyl)-1,3-oxazol-4-yl]propan-2-one
CID 69124059
1-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylbutan-1-one
CID 19892499
2-cyclopentyloxy-4-propoxybenzoic acid
CID 43472393
1-[2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1,3-oxazol-4-yl]-3-(2-methoxyphenyl)propan-2-one
CID 69124555
2-(3-cyclobutyloxy-4-methoxyphenyl)propanoic acid
CID 117378818

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-cyclopentyloxy-4-methoxyphenyl)-1,3-oxazol-4-yl]-1-(2-propoxyphenyl)propan-1-one?
The IUPAC name of 2-[2-(3-cyclopentyloxy-4-methoxyphenyl)-1,3-oxazol-4-yl]-1-(2-propoxyphenyl)propan-1-one (CID 151786512) is 2-[2-(3-cyclopentyloxy-4-methoxyphenyl)-1,3-oxazol-4-yl]-1-(2-propoxyphenyl)propan-1-one.
What is the SMILES notation for 2-[2-(3-cyclopentyloxy-4-methoxyphenyl)-1,3-oxazol-4-yl]-1-(2-propoxyphenyl)propan-1-one?
The canonical SMILES for 2-[2-(3-cyclopentyloxy-4-methoxyphenyl)-1,3-oxazol-4-yl]-1-(2-propoxyphenyl)propan-1-one is CCCOc1ccccc1C(=O)C(C)c1coc(-c2ccc(OC)c(OC3CCCC3)c2)n1.
What is the InChIKey of 2-[2-(3-cyclopentyloxy-4-methoxyphenyl)-1,3-oxazol-4-yl]-1-(2-propoxyphenyl)propan-1-one?
The InChIKey is RVSIKWQSEFMQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO5/c1-4-15-31-23-12-8-7-11-21(23)26(29)18(2)22-17-32-27(28-22)19-13-14-24(30-3)25(16-19)33-20-9-5-6-10-20/h7-8,11-14,16-18,20H,4-6,9-10,15H2,1-3H3.
What are the key properties of 2-[2-(3-cyclopentyloxy-4-methoxyphenyl)-1,3-oxazol-4-yl]-1-(2-propoxyphenyl)propan-1-one?
2-[2-(3-cyclopentyloxy-4-methoxyphenyl)-1,3-oxazol-4-yl]-1-(2-propoxyphenyl)propan-1-one has a molecular weight of 449.55 g/mol, XLogP of 6.45, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-cyclopentyloxy-4-methoxyphenyl)-1,3-oxazol-4-yl]-1-(2-propoxyphenyl)propan-1-one is sourced from PubChem (CID 151786512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).