5-(2,2-dimethylcyclopropyl)-2-(4-methoxyphenyl)-1,3-oxazole

C15H17NO2 — CID 57030151

IUPAC5-(2,2-dimethylcyclopropyl)-2-(4-methoxyphenyl)-1,3-oxazole
SMILESCOc1ccc(-c2ncc(C3CC3(C)C)o2)cc1
InChIInChI=1S/C15H17NO2/c1-15(2)8-12(15)13-9-16-14(18-13)10-4-6-11(17-3)7-5-10/h4-7,9,12H,8H2,1-3H3
InChIKeyQJAFFINCBCJVMG-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.86
Rot. Bonds3

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

5-(2,2-dimethylcyclopropyl)-2-(4-methoxyphenyl)-1,3-oxazole (PubChem CID 57030151) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 5-(2,2-dimethylcyclopropyl)-2-(4-methoxyphenyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(2,2-dimethylcyclopropyl)-2-(4-methoxyphenyl)-1,3-oxazole
PubChem CID57030151
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name5-(2,2-dimethylcyclopropyl)-2-(4-methoxyphenyl)-1,3-oxazole
SMILESCOc1ccc(-c2ncc(C3CC3(C)C)o2)cc1
InChIInChI=1S/C15H17NO2/c1-15(2)8-12(15)13-9-16-14(18-13)10-4-6-11(17-3)7-5-10/h4-7,9,12H,8H2,1-3H3
InChIKeyQJAFFINCBCJVMG-UHFFFAOYSA-N
XLogP3.86
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(2,2-dimethylcyclopropyl)-2-(4-methoxyphenyl)-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromophenyl)-5-(2,2-difluorocyclopropyl)-1,3-oxazole
CID 57027441
2-(4-methoxyphenyl)-5-pyridin-4-yl-1,3-oxazole
CID 10422311
2-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 102345414
3-(2,2-dimethylcyclopropyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
CID 107001939
4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]pyridin-2-amine
CID 71401542
5-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-2-methylaniline
CID 143054394
2-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1,3-oxazole
CID 58157224
2-[3,5-bis[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 638609
5-(4-methoxyphenyl)-2-pyridin-3-yl-1,3-oxazole
CID 928446
5-[(4-methoxyphenyl)methyl]-2-phenyl-1,3-oxazole
CID 102463231
2-methoxy-4-(5-methyl-1,3-oxazol-2-yl)aniline
CID 82469941
[4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]pyridin-1-ium-1-yl] perchlorate
CID 88703781

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylcyclopropyl)-2-(4-methoxyphenyl)-1,3-oxazole?
The IUPAC name of 5-(2,2-dimethylcyclopropyl)-2-(4-methoxyphenyl)-1,3-oxazole (CID 57030151) is 5-(2,2-dimethylcyclopropyl)-2-(4-methoxyphenyl)-1,3-oxazole.
What is the SMILES notation for 5-(2,2-dimethylcyclopropyl)-2-(4-methoxyphenyl)-1,3-oxazole?
The canonical SMILES for 5-(2,2-dimethylcyclopropyl)-2-(4-methoxyphenyl)-1,3-oxazole is COc1ccc(-c2ncc(C3CC3(C)C)o2)cc1.
What is the InChIKey of 5-(2,2-dimethylcyclopropyl)-2-(4-methoxyphenyl)-1,3-oxazole?
The InChIKey is QJAFFINCBCJVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-15(2)8-12(15)13-9-16-14(18-13)10-4-6-11(17-3)7-5-10/h4-7,9,12H,8H2,1-3H3.
What are the key properties of 5-(2,2-dimethylcyclopropyl)-2-(4-methoxyphenyl)-1,3-oxazole?
5-(2,2-dimethylcyclopropyl)-2-(4-methoxyphenyl)-1,3-oxazole has a molecular weight of 243.31 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylcyclopropyl)-2-(4-methoxyphenyl)-1,3-oxazole is sourced from PubChem (CID 57030151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).