4-[2-(4-methoxyphenyl)-4-methylpyrrol-1-yl]-3,5-dimethyl-1,2-oxazole

C17H18N2O2 — CID 67117070

IUPAC4-[2-(4-methoxyphenyl)-4-methylpyrrol-1-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1ccc(-c2cc(C)cn2-c2c(C)noc2C)cc1
InChIInChI=1S/C17H18N2O2/c1-11-9-16(14-5-7-15(20-4)8-6-14)19(10-11)17-12(2)18-21-13(17)3/h5-10H,1-4H3
InChIKeyZTRYLBMTHHBILI-UHFFFAOYSA-N
MW282.34 g/mol
LogP4.07
Rot. Bonds3

About 4-[2-(4-methoxyphenyl)-4-methylpyrrol-1-yl]-3,5-dimethyl-1,2-oxazole

4-[2-(4-methoxyphenyl)-4-methylpyrrol-1-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 67117070) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-[2-(4-methoxyphenyl)-4-methylpyrrol-1-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[2-(4-methoxyphenyl)-4-methylpyrrol-1-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID67117070
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name4-[2-(4-methoxyphenyl)-4-methylpyrrol-1-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1ccc(-c2cc(C)cn2-c2c(C)noc2C)cc1
InChIInChI=1S/C17H18N2O2/c1-11-9-16(14-5-7-15(20-4)8-6-14)19(10-11)17-12(2)18-21-13(17)3/h5-10H,1-4H3
InChIKeyZTRYLBMTHHBILI-UHFFFAOYSA-N
XLogP4.07
TPSA40.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(4-methoxyphenyl)imidazol-1-yl]-3,5-dimethyl-1,2-oxazole
CID 67115835
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(4-methoxyphenyl)-3-methylpyrrol-2-yl]-N-methylmethanimine
CID 123439479
4-[2-(4-methoxyphenyl)-4-methylpyrrol-1-yl]-N-methylbenzenesulfonamide
CID 140981238
2,3-bis(4-methoxyphenyl)-5,6-dimethylpyrazine
CID 14100167
4-[4-[6-(4-methoxyphenyl)-2-phenylpyrimidin-4-yl]phenyl]-3,5-dimethyl-1,2-oxazole
CID 118721631
5-bromo-3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(4-methoxyphenyl)-1-methylpyrrole-2-carbonitrile
CID 67116126
1-(113C)methoxy-4-methylbenzene
CID 166176950
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 79236329
3-(4-methoxyphenyl)-5-methyl-4-methylsulfanyl-1,2-oxazole
CID 68883545
2-(4-methoxyphenyl)-7-methyl-6-(4-methylphenyl)imidazo[1,2-a]imidazole
CID 4552068
3-(4-methoxyphenyl)-1-methyl-5-(4-methylphenyl)-2-phenylpyrrole
CID 10959140
methane;1-methoxy-4-(4-methylphenyl)benzene
CID 159881054

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxyphenyl)-4-methylpyrrol-1-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[2-(4-methoxyphenyl)-4-methylpyrrol-1-yl]-3,5-dimethyl-1,2-oxazole (CID 67117070) is 4-[2-(4-methoxyphenyl)-4-methylpyrrol-1-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[2-(4-methoxyphenyl)-4-methylpyrrol-1-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[2-(4-methoxyphenyl)-4-methylpyrrol-1-yl]-3,5-dimethyl-1,2-oxazole is COc1ccc(-c2cc(C)cn2-c2c(C)noc2C)cc1.
What is the InChIKey of 4-[2-(4-methoxyphenyl)-4-methylpyrrol-1-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is ZTRYLBMTHHBILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-11-9-16(14-5-7-15(20-4)8-6-14)19(10-11)17-12(2)18-21-13(17)3/h5-10H,1-4H3.
What are the key properties of 4-[2-(4-methoxyphenyl)-4-methylpyrrol-1-yl]-3,5-dimethyl-1,2-oxazole?
4-[2-(4-methoxyphenyl)-4-methylpyrrol-1-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 282.34 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxyphenyl)-4-methylpyrrol-1-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 67117070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).