1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(4-methoxyphenyl)-3-methylpyrrol-2-yl]-N-methylmethanimine

C19H21N3O2 — CID 123439479

IUPAC1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(4-methoxyphenyl)-3-methylpyrrol-2-yl]-N-methylmethanimine
SMILESC/N=C/c1c(C)cc(-c2ccc(OC)cc2)n1-c1c(C)noc1C
InChIInChI=1S/C19H21N3O2/c1-12-10-17(15-6-8-16(23-5)9-7-15)22(18(12)11-20-4)19-13(2)21-24-14(19)3/h6-11H,1-5H3/b20-11+
InChIKeyRLRHHIIIJYXMGC-RGVLZGJSSA-N
MW323.40 g/mol
LogP4.11
Rot. Bonds4

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

1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(4-methoxyphenyl)-3-methylpyrrol-2-yl]-N-methylmethanimine (PubChem CID 123439479) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(4-methoxyphenyl)-3-methylpyrrol-2-yl]-N-methylmethanimine.

Molecular Properties

Compound Name1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(4-methoxyphenyl)-3-methylpyrrol-2-yl]-N-methylmethanimine
PubChem CID123439479
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(4-methoxyphenyl)-3-methylpyrrol-2-yl]-N-methylmethanimine
SMILESC/N=C/c1c(C)cc(-c2ccc(OC)cc2)n1-c1c(C)noc1C
InChIInChI=1S/C19H21N3O2/c1-12-10-17(15-6-8-16(23-5)9-7-15)22(18(12)11-20-4)19-13(2)21-24-14(19)3/h6-11H,1-5H3/b20-11+
InChIKeyRLRHHIIIJYXMGC-RGVLZGJSSA-N
XLogP4.11
TPSA52.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[2-(4-methoxyphenyl)-4-methylpyrrol-1-yl]-3,5-dimethyl-1,2-oxazole
CID 67117070
4-[2-(4-methoxyphenyl)imidazol-1-yl]-3,5-dimethyl-1,2-oxazole
CID 67115835
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
3,5-bis(4-methoxyphenyl)-1,2-oxazole
CID 10956920
5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-amine
CID 102467999
ethyl 3-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]-2-methylimino-1,3-thiazole-4-carboxylate
CID 11395453
3-(4-methoxyphenyl)-5-methyl-4-methylsulfanyl-1,2-oxazole
CID 68883545
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883
(3R)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(4-methoxyphenyl)methyl]-1,3-dimethyl-3H-quinoxalin-2-one
CID 122164732
4-[4-(4-methoxyphenyl)-5-methyl-1,2-oxazol-3-yl]-6-methylbenzene-1,3-diol
CID 136602125
3-ethyl-5-(4-methoxyphenyl)-1,2-oxazole
CID 59226263

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(4-methoxyphenyl)-3-methylpyrrol-2-yl]-N-methylmethanimine?
The IUPAC name of 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(4-methoxyphenyl)-3-methylpyrrol-2-yl]-N-methylmethanimine (CID 123439479) is 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(4-methoxyphenyl)-3-methylpyrrol-2-yl]-N-methylmethanimine.
What is the SMILES notation for 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(4-methoxyphenyl)-3-methylpyrrol-2-yl]-N-methylmethanimine?
The canonical SMILES for 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(4-methoxyphenyl)-3-methylpyrrol-2-yl]-N-methylmethanimine is C/N=C/c1c(C)cc(-c2ccc(OC)cc2)n1-c1c(C)noc1C.
What is the InChIKey of 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(4-methoxyphenyl)-3-methylpyrrol-2-yl]-N-methylmethanimine?
The InChIKey is RLRHHIIIJYXMGC-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-12-10-17(15-6-8-16(23-5)9-7-15)22(18(12)11-20-4)19-13(2)21-24-14(19)3/h6-11H,1-5H3/b20-11+.
What are the key properties of 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(4-methoxyphenyl)-3-methylpyrrol-2-yl]-N-methylmethanimine?
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(4-methoxyphenyl)-3-methylpyrrol-2-yl]-N-methylmethanimine has a molecular weight of 323.40 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(4-methoxyphenyl)-3-methylpyrrol-2-yl]-N-methylmethanimine is sourced from PubChem (CID 123439479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).