4-ethyl-3,5-bis(4-methoxyphenyl)-1,2-oxazole

C19H19NO3 — CID 19586929

IUPAC4-ethyl-3,5-bis(4-methoxyphenyl)-1,2-oxazole
SMILESCCc1c(-c2ccc(OC)cc2)noc1-c1ccc(OC)cc1
InChIInChI=1S/C19H19NO3/c1-4-17-18(13-5-9-15(21-2)10-6-13)20-23-19(17)14-7-11-16(22-3)12-8-14/h5-12H,4H2,1-3H3
InChIKeyAVRSVMVKGKMOCT-UHFFFAOYSA-N
MW309.37 g/mol
LogP4.59
Rot. Bonds5

About 4-ethyl-3,5-bis(4-methoxyphenyl)-1,2-oxazole

4-ethyl-3,5-bis(4-methoxyphenyl)-1,2-oxazole (PubChem CID 19586929) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 4-ethyl-3,5-bis(4-methoxyphenyl)-1,2-oxazole.

Molecular Properties

Compound Name4-ethyl-3,5-bis(4-methoxyphenyl)-1,2-oxazole
PubChem CID19586929
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name4-ethyl-3,5-bis(4-methoxyphenyl)-1,2-oxazole
SMILESCCc1c(-c2ccc(OC)cc2)noc1-c1ccc(OC)cc1
InChIInChI=1S/C19H19NO3/c1-4-17-18(13-5-9-15(21-2)10-6-13)20-23-19(17)14-7-11-16(22-3)12-8-14/h5-12H,4H2,1-3H3
InChIKeyAVRSVMVKGKMOCT-UHFFFAOYSA-N
XLogP4.59
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Mofezolac
CID 4237
Isoxazole, 5-(4-methoxyphenyl)-3-phenyl-
CID 279122
5-(4-Methoxyphenyl)isoxazole
CID 2736756
Oxfbd03
CID 71624782
3-(4-Methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-amine
CID 46227201
4-(3,4-Dimethoxyphenyl)-3-phenyl-1,2-oxazol-5-amine
CID 853148
4-Ethyl-5-methoxy-2-[4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol
CID 1402231
3-(4-Methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-oxazole
CID 91973763
Isoxazole, 5-(7-(4-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)phenoxy)heptyl)-3-methyl-
CID 515336
6-Methoxy-3-phenylbenzo[d]isoxazole
CID 3286009
3,4-Bis(4-methoxyphenyl)-5-methylisoxazole
CID 3954928
(E)-3-[3-(2-Ethoxy-3,5-diisopropyl-phenyl)-benzo[d]isoxazol-5-yl]-but-2-enoic acid
CID 10158313

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3,5-bis(4-methoxyphenyl)-1,2-oxazole?
The IUPAC name of 4-ethyl-3,5-bis(4-methoxyphenyl)-1,2-oxazole (CID 19586929) is 4-ethyl-3,5-bis(4-methoxyphenyl)-1,2-oxazole.
What is the SMILES notation for 4-ethyl-3,5-bis(4-methoxyphenyl)-1,2-oxazole?
The canonical SMILES for 4-ethyl-3,5-bis(4-methoxyphenyl)-1,2-oxazole is CCc1c(-c2ccc(OC)cc2)noc1-c1ccc(OC)cc1.
What is the InChIKey of 4-ethyl-3,5-bis(4-methoxyphenyl)-1,2-oxazole?
The InChIKey is AVRSVMVKGKMOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-4-17-18(13-5-9-15(21-2)10-6-13)20-23-19(17)14-7-11-16(22-3)12-8-14/h5-12H,4H2,1-3H3.
What are the key properties of 4-ethyl-3,5-bis(4-methoxyphenyl)-1,2-oxazole?
4-ethyl-3,5-bis(4-methoxyphenyl)-1,2-oxazole has a molecular weight of 309.37 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3,5-bis(4-methoxyphenyl)-1,2-oxazole is sourced from PubChem (CID 19586929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).