5-[2-(4-methoxyphenyl)cyclohepta[b]pyrrol-3-yl]-3-methyl-1,2-oxazole

C20H16N2O2 — CID 101083510

IUPAC5-[2-(4-methoxyphenyl)cyclohepta[b]pyrrol-3-yl]-3-methyl-1,2-oxazole
SMILESCOc1ccc(-c2nc3cccccc-3c2-c2cc(C)no2)cc1
InChIInChI=1S/C20H16N2O2/c1-13-12-18(24-22-13)19-16-6-4-3-5-7-17(16)21-20(19)14-8-10-15(23-2)11-9-14/h3-12H,1-2H3
InChIKeyRTNGERHAGAVKFJ-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.83
Rot. Bonds3

About 5-[2-(4-methoxyphenyl)cyclohepta[b]pyrrol-3-yl]-3-methyl-1,2-oxazole

5-[2-(4-methoxyphenyl)cyclohepta[b]pyrrol-3-yl]-3-methyl-1,2-oxazole (PubChem CID 101083510) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 5-[2-(4-methoxyphenyl)cyclohepta[b]pyrrol-3-yl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[2-(4-methoxyphenyl)cyclohepta[b]pyrrol-3-yl]-3-methyl-1,2-oxazole
PubChem CID101083510
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name5-[2-(4-methoxyphenyl)cyclohepta[b]pyrrol-3-yl]-3-methyl-1,2-oxazole
SMILESCOc1ccc(-c2nc3cccccc-3c2-c2cc(C)no2)cc1
InChIInChI=1S/C20H16N2O2/c1-13-12-18(24-22-13)19-16-6-4-3-5-7-17(16)21-20(19)14-8-10-15(23-2)11-9-14/h3-12H,1-2H3
InChIKeyRTNGERHAGAVKFJ-UHFFFAOYSA-N
XLogP4.83
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-bis(4-methoxyphenyl)-4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrrol-3-amine
CID 135912239
3-methyl-5-(2-phenylphenyl)-1,2-oxazole
CID 123870011
5-(4-methoxyphenyl)-4-(3-methyl-1,2-oxazol-5-yl)-3,3-diphenyl-1H-pyrrol-2-one
CID 136747573
3-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole
CID 67512216
5-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-3-methyl-1,2-oxazole
CID 122146031
3,5-bis(4-methoxyphenyl)-1,2-oxazole
CID 10956920
2,6-bis(4-methoxyphenyl)-4-methylpyridin-3-amine
CID 66615323
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]aniline
CID 61268827
5-(2,4-dimethoxy-6-methylphenyl)-3-methyl-1,2-oxazole
CID 116868995
N-benzyl-5-(4-methoxyphenyl)-1,2-oxazol-3-amine
CID 46173648
3-(4-methoxyphenyl)-5-phenyl-[1,2]oxazolo[5,4-c]pyridazine
CID 15040792
4-(2-fluorophenyl)-5-(4-methoxyphenyl)-1,2-oxazol-3-amine
CID 66200762

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methoxyphenyl)cyclohepta[b]pyrrol-3-yl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[2-(4-methoxyphenyl)cyclohepta[b]pyrrol-3-yl]-3-methyl-1,2-oxazole (CID 101083510) is 5-[2-(4-methoxyphenyl)cyclohepta[b]pyrrol-3-yl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[2-(4-methoxyphenyl)cyclohepta[b]pyrrol-3-yl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[2-(4-methoxyphenyl)cyclohepta[b]pyrrol-3-yl]-3-methyl-1,2-oxazole is COc1ccc(-c2nc3cccccc-3c2-c2cc(C)no2)cc1.
What is the InChIKey of 5-[2-(4-methoxyphenyl)cyclohepta[b]pyrrol-3-yl]-3-methyl-1,2-oxazole?
The InChIKey is RTNGERHAGAVKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c1-13-12-18(24-22-13)19-16-6-4-3-5-7-17(16)21-20(19)14-8-10-15(23-2)11-9-14/h3-12H,1-2H3.
What are the key properties of 5-[2-(4-methoxyphenyl)cyclohepta[b]pyrrol-3-yl]-3-methyl-1,2-oxazole?
5-[2-(4-methoxyphenyl)cyclohepta[b]pyrrol-3-yl]-3-methyl-1,2-oxazole has a molecular weight of 316.36 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methoxyphenyl)cyclohepta[b]pyrrol-3-yl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 101083510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).