4-(4-propoxyphenyl)-1,2-oxazole

C12H13NO2 — CID 20636858

IUPAC4-(4-propoxyphenyl)-1,2-oxazole
SMILESCCCOc1ccc(-c2cnoc2)cc1
InChIInChI=1S/C12H13NO2/c1-2-7-14-12-5-3-10(4-6-12)11-8-13-15-9-11/h3-6,8-9H,2,7H2,1H3
InChIKeyGTSDJLGWKWZHJB-UHFFFAOYSA-N
MW203.24 g/mol
LogP3.13
Rot. Bonds4

About 4-(4-propoxyphenyl)-1,2-oxazole

4-(4-propoxyphenyl)-1,2-oxazole (PubChem CID 20636858) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 4-(4-propoxyphenyl)-1,2-oxazole.

Molecular Properties

Compound Name4-(4-propoxyphenyl)-1,2-oxazole
PubChem CID20636858
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name4-(4-propoxyphenyl)-1,2-oxazole
SMILESCCCOc1ccc(-c2cnoc2)cc1
InChIInChI=1S/C12H13NO2/c1-2-7-14-12-5-3-10(4-6-12)11-8-13-15-9-11/h3-6,8-9H,2,7H2,1H3
InChIKeyGTSDJLGWKWZHJB-UHFFFAOYSA-N
XLogP3.13
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-propoxyphenyl)-[4-[4-[4-[(4-propoxyphenyl)diazenyl]phenyl]phenyl]phenyl]diazene
CID 139387262
2,3-difluoro-5-[4-(4-propoxyphenyl)phenyl]pyridine
CID 23190649
5-pentyl-2-[4-(4-propoxyphenyl)phenyl]pyridine
CID 19859964
1-pentan-3-yl-4-(4-propoxyphenyl)benzene
CID 126760661
5-[3,5-bis[3-(4-propoxyphenyl)-1,2-oxazol-5-yl]phenyl]-3-(4-propoxyphenyl)-1,2-oxazole
CID 53360252
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189
1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
CID 100970451
2-(chloromethyl)-5-(4-propoxyphenyl)-1,3-oxazole
CID 43144208
1-(1,1-difluoroethyl)-4-(4-propoxyphenyl)benzene
CID 23188574
1-[4-[4-(4-propoxyphenyl)phenyl]phenyl]ethanone
CID 59457885
phenyl-[4-[[4-[8-[4-(4-propoxyphenyl)phenoxy]octoxy]phenyl]diazenyl]phenyl]diazene
CID 102419981
1-propoxy-4-[4-(1-propoxyethyl)phenyl]benzene
CID 139694252

Frequently Asked Questions

What is the IUPAC name of 4-(4-propoxyphenyl)-1,2-oxazole?
The IUPAC name of 4-(4-propoxyphenyl)-1,2-oxazole (CID 20636858) is 4-(4-propoxyphenyl)-1,2-oxazole.
What is the SMILES notation for 4-(4-propoxyphenyl)-1,2-oxazole?
The canonical SMILES for 4-(4-propoxyphenyl)-1,2-oxazole is CCCOc1ccc(-c2cnoc2)cc1.
What is the InChIKey of 4-(4-propoxyphenyl)-1,2-oxazole?
The InChIKey is GTSDJLGWKWZHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-2-7-14-12-5-3-10(4-6-12)11-8-13-15-9-11/h3-6,8-9H,2,7H2,1H3.
What are the key properties of 4-(4-propoxyphenyl)-1,2-oxazole?
4-(4-propoxyphenyl)-1,2-oxazole has a molecular weight of 203.24 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propoxyphenyl)-1,2-oxazole is sourced from PubChem (CID 20636858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).