1-[1-[4-phenyl-3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]cyclopropyl]ethanol

C27H25NO3 — CID 59857599

IUPAC1-[1-[4-phenyl-3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]cyclopropyl]ethanol
SMILESCC(O)C1(c2onc(-c3ccc(OCc4ccccc4)cc3)c2-c2ccccc2)CC1
InChIInChI=1S/C27H25NO3/c1-19(29)27(16-17-27)26-24(21-10-6-3-7-11-21)25(28-31-26)22-12-14-23(15-13-22)30-18-20-8-4-2-5-9-20/h2-15,19,29H,16-18H2,1H3
InChIKeyMJPMUYLKWBFLRK-UHFFFAOYSA-N
MW411.50 g/mol
LogP6.00
Rot. Bonds7

About 1-[1-[4-phenyl-3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]cyclopropyl]ethanol

1-[1-[4-phenyl-3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]cyclopropyl]ethanol (PubChem CID 59857599) has the molecular formula C27H25NO3 and a molecular weight of 411.50 g/mol. Its IUPAC name is 1-[1-[4-phenyl-3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]cyclopropyl]ethanol.

Molecular Properties

Compound Name1-[1-[4-phenyl-3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]cyclopropyl]ethanol
PubChem CID59857599
Molecular FormulaC27H25NO3
Molecular Weight411.50 g/mol
Exact Mass411.18
IUPAC Name1-[1-[4-phenyl-3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]cyclopropyl]ethanol
SMILESCC(O)C1(c2onc(-c3ccc(OCc4ccccc4)cc3)c2-c2ccccc2)CC1
InChIInChI=1S/C27H25NO3/c1-19(29)27(16-17-27)26-24(21-10-6-3-7-11-21)25(28-31-26)22-12-14-23(15-13-22)30-18-20-8-4-2-5-9-20/h2-15,19,29H,16-18H2,1H3
InChIKeyMJPMUYLKWBFLRK-UHFFFAOYSA-N
XLogP6.00
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.50
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-phenyl-3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]cyclopropyl]ethanol?
The IUPAC name of 1-[1-[4-phenyl-3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]cyclopropyl]ethanol (CID 59857599) is 1-[1-[4-phenyl-3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]cyclopropyl]ethanol.
What is the SMILES notation for 1-[1-[4-phenyl-3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]cyclopropyl]ethanol?
The canonical SMILES for 1-[1-[4-phenyl-3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]cyclopropyl]ethanol is CC(O)C1(c2onc(-c3ccc(OCc4ccccc4)cc3)c2-c2ccccc2)CC1.
What is the InChIKey of 1-[1-[4-phenyl-3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]cyclopropyl]ethanol?
The InChIKey is MJPMUYLKWBFLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO3/c1-19(29)27(16-17-27)26-24(21-10-6-3-7-11-21)25(28-31-26)22-12-14-23(15-13-22)30-18-20-8-4-2-5-9-20/h2-15,19,29H,16-18H2,1H3.
What are the key properties of 1-[1-[4-phenyl-3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]cyclopropyl]ethanol?
1-[1-[4-phenyl-3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]cyclopropyl]ethanol has a molecular weight of 411.50 g/mol, XLogP of 6.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-phenyl-3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]cyclopropyl]ethanol is sourced from PubChem (CID 59857599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).