5-chloro-3-(4-propoxyphenyl)-1,2-oxazole

C12H12ClNO2 — CID 80646468

IUPAC5-chloro-3-(4-propoxyphenyl)-1,2-oxazole
SMILESCCCOc1ccc(-c2cc(Cl)on2)cc1
InChIInChI=1S/C12H12ClNO2/c1-2-7-15-10-5-3-9(4-6-10)11-8-12(13)16-14-11/h3-6,8H,2,7H2,1H3
InChIKeyIZKREJWMHPJFDL-UHFFFAOYSA-N
MW237.69 g/mol
LogP3.78
Rot. Bonds4

About 5-chloro-3-(4-propoxyphenyl)-1,2-oxazole

5-chloro-3-(4-propoxyphenyl)-1,2-oxazole (PubChem CID 80646468) has the molecular formula C12H12ClNO2 and a molecular weight of 237.69 g/mol. Its IUPAC name is 5-chloro-3-(4-propoxyphenyl)-1,2-oxazole.

Molecular Properties

Compound Name5-chloro-3-(4-propoxyphenyl)-1,2-oxazole
PubChem CID80646468
Molecular FormulaC12H12ClNO2
Molecular Weight237.69 g/mol
Exact Mass237.06
IUPAC Name5-chloro-3-(4-propoxyphenyl)-1,2-oxazole
SMILESCCCOc1ccc(-c2cc(Cl)on2)cc1
InChIInChI=1S/C12H12ClNO2/c1-2-7-15-10-5-3-9(4-6-10)11-8-12(13)16-14-11/h3-6,8H,2,7H2,1H3
InChIKeyIZKREJWMHPJFDL-UHFFFAOYSA-N
XLogP3.78
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3,5-bis[3-(4-propoxyphenyl)-1,2-oxazol-5-yl]phenyl]-3-(4-propoxyphenyl)-1,2-oxazole
CID 53360252
5-(chloromethyl)-3-(4-pentoxyphenyl)-1,2-oxazole
CID 57498270
[3-(4-propoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate
CID 46892868
methyl N-[3-(4-propoxyphenyl)-1,2-oxazol-5-yl]carbamate
CID 174638480
3-chloro-5-(4-propoxyphenyl)-1,2,4-triazine
CID 82480729
3-(4-methylphenyl)-5-(4-pentoxyphenyl)-1,2-oxazole
CID 122432767
5-chloro-3-(4-iodophenyl)-1,2-oxazole
CID 18612669
4,6-dichloro-2-(4-propoxyphenyl)pyrimidine
CID 63612097
(4-decoxyphenyl) 3-(4-decoxyphenyl)-1,2-oxazole-5-carboxylate
CID 102279891
4-[3-(4-butoxyphenyl)-1,2-oxazol-5-yl]benzonitrile
CID 71367381
3-(4-bromophenyl)-5-(4-decoxyphenyl)-1,2-oxazole
CID 25227832
N-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-4-propoxybenzamide
CID 17014692

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(4-propoxyphenyl)-1,2-oxazole?
The IUPAC name of 5-chloro-3-(4-propoxyphenyl)-1,2-oxazole (CID 80646468) is 5-chloro-3-(4-propoxyphenyl)-1,2-oxazole.
What is the SMILES notation for 5-chloro-3-(4-propoxyphenyl)-1,2-oxazole?
The canonical SMILES for 5-chloro-3-(4-propoxyphenyl)-1,2-oxazole is CCCOc1ccc(-c2cc(Cl)on2)cc1.
What is the InChIKey of 5-chloro-3-(4-propoxyphenyl)-1,2-oxazole?
The InChIKey is IZKREJWMHPJFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2/c1-2-7-15-10-5-3-9(4-6-10)11-8-12(13)16-14-11/h3-6,8H,2,7H2,1H3.
What are the key properties of 5-chloro-3-(4-propoxyphenyl)-1,2-oxazole?
5-chloro-3-(4-propoxyphenyl)-1,2-oxazole has a molecular weight of 237.69 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(4-propoxyphenyl)-1,2-oxazole is sourced from PubChem (CID 80646468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).