3-[(E)-3-(3-cyclopentyloxy-4-methoxyphenyl)prop-2-enoyl]-4-phenyl-1,3-oxazol-2-one

C24H23NO5 — CID 23222648

IUPAC3-[(E)-3-(3-cyclopentyloxy-4-methoxyphenyl)prop-2-enoyl]-4-phenyl-1,3-oxazol-2-one
SMILESCOc1ccc(/C=C/C(=O)n2c(-c3ccccc3)coc2=O)cc1OC1CCCC1
InChIInChI=1S/C24H23NO5/c1-28-21-13-11-17(15-22(21)30-19-9-5-6-10-19)12-14-23(26)25-20(16-29-24(25)27)18-7-3-2-4-8-18/h2-4,7-8,11-16,19H,5-6,9-10H2,1H3/b14-12+
InChIKeyCRFNTQFYPVSRIP-WYMLVPIESA-N
MW405.45 g/mol
LogP4.79
Rot. Bonds6

About 3-[(E)-3-(3-cyclopentyloxy-4-methoxyphenyl)prop-2-enoyl]-4-phenyl-1,3-oxazol-2-one

3-[(E)-3-(3-cyclopentyloxy-4-methoxyphenyl)prop-2-enoyl]-4-phenyl-1,3-oxazol-2-one (PubChem CID 23222648) has the molecular formula C24H23NO5 and a molecular weight of 405.45 g/mol. Its IUPAC name is 3-[(E)-3-(3-cyclopentyloxy-4-methoxyphenyl)prop-2-enoyl]-4-phenyl-1,3-oxazol-2-one.

Molecular Properties

Compound Name3-[(E)-3-(3-cyclopentyloxy-4-methoxyphenyl)prop-2-enoyl]-4-phenyl-1,3-oxazol-2-one
PubChem CID23222648
Molecular FormulaC24H23NO5
Molecular Weight405.45 g/mol
Exact Mass405.16
IUPAC Name3-[(E)-3-(3-cyclopentyloxy-4-methoxyphenyl)prop-2-enoyl]-4-phenyl-1,3-oxazol-2-one
SMILESCOc1ccc(/C=C/C(=O)n2c(-c3ccccc3)coc2=O)cc1OC1CCCC1
InChIInChI=1S/C24H23NO5/c1-28-21-13-11-17(15-22(21)30-19-9-5-6-10-19)12-14-23(26)25-20(16-29-24(25)27)18-7-3-2-4-8-18/h2-4,7-8,11-16,19H,5-6,9-10H2,1H3/b14-12+
InChIKeyCRFNTQFYPVSRIP-WYMLVPIESA-N
XLogP4.79
TPSA70.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-cyclopentyloxy-3-methoxyphenyl)prop-2-enoic acid
CID 43147789
(E)-3-(4-cyclobutyloxy-3-methoxyphenyl)prop-2-enoic acid
CID 138464982
(NZ)-N-[(E)-3-(3-cyclopentyloxy-4-methoxyphenyl)prop-2-enylidene]hydroxylamine
CID 10106724
2-cyclopentyloxy-1-methoxy-4-[(E)-2-nitrosoethenyl]benzene
CID 89146119
5-bromo-3-[(E)-3-(3-cyclopentyloxy-4-methoxyphenyl)prop-2-enoyl]-2-hydroxybenzoic acid
CID 53318628
(Z)-3-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylprop-2-enenitrile
CID 67598126
2-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxyacetic acid
CID 44541745
2-[[(E)-3-(4-cyclobutyloxy-3-methoxyphenyl)prop-2-enoyl]amino]benzoic acid
CID 67889721
bis[2-(3-cyclopentyloxy-4-methoxyphenyl)phenyl]methanone
CID 67693091
(E)-3-[3-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]prop-2-enoic acid
CID 95355313
4-(3,4-dimethoxyphenyl)-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-1-phenylimidazol-2-one
CID 53311292
(E)-N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 55745702

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-(3-cyclopentyloxy-4-methoxyphenyl)prop-2-enoyl]-4-phenyl-1,3-oxazol-2-one?
The IUPAC name of 3-[(E)-3-(3-cyclopentyloxy-4-methoxyphenyl)prop-2-enoyl]-4-phenyl-1,3-oxazol-2-one (CID 23222648) is 3-[(E)-3-(3-cyclopentyloxy-4-methoxyphenyl)prop-2-enoyl]-4-phenyl-1,3-oxazol-2-one.
What is the SMILES notation for 3-[(E)-3-(3-cyclopentyloxy-4-methoxyphenyl)prop-2-enoyl]-4-phenyl-1,3-oxazol-2-one?
The canonical SMILES for 3-[(E)-3-(3-cyclopentyloxy-4-methoxyphenyl)prop-2-enoyl]-4-phenyl-1,3-oxazol-2-one is COc1ccc(/C=C/C(=O)n2c(-c3ccccc3)coc2=O)cc1OC1CCCC1.
What is the InChIKey of 3-[(E)-3-(3-cyclopentyloxy-4-methoxyphenyl)prop-2-enoyl]-4-phenyl-1,3-oxazol-2-one?
The InChIKey is CRFNTQFYPVSRIP-WYMLVPIESA-N. The full InChI is InChI=1S/C24H23NO5/c1-28-21-13-11-17(15-22(21)30-19-9-5-6-10-19)12-14-23(26)25-20(16-29-24(25)27)18-7-3-2-4-8-18/h2-4,7-8,11-16,19H,5-6,9-10H2,1H3/b14-12+.
What are the key properties of 3-[(E)-3-(3-cyclopentyloxy-4-methoxyphenyl)prop-2-enoyl]-4-phenyl-1,3-oxazol-2-one?
3-[(E)-3-(3-cyclopentyloxy-4-methoxyphenyl)prop-2-enoyl]-4-phenyl-1,3-oxazol-2-one has a molecular weight of 405.45 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-(3-cyclopentyloxy-4-methoxyphenyl)prop-2-enoyl]-4-phenyl-1,3-oxazol-2-one is sourced from PubChem (CID 23222648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).