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

C17H20N2O2 — CID 20853095

IUPAC2-[1-[(2-methoxyphenyl)methyl]pyrrol-2-yl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCOc1ccccc1Cn1cccc1C1=NC(C)(C)CO1
InChIInChI=1S/C17H20N2O2/c1-17(2)12-21-16(18-17)14-8-6-10-19(14)11-13-7-4-5-9-15(13)20-3/h4-10H,11-12H2,1-3H3
InChIKeyIYWJCHLJNBELFY-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.10
Rot. Bonds4

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

2-[1-[(2-methoxyphenyl)methyl]pyrrol-2-yl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 20853095) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[1-[(2-methoxyphenyl)methyl]pyrrol-2-yl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[1-[(2-methoxyphenyl)methyl]pyrrol-2-yl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID20853095
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-[1-[(2-methoxyphenyl)methyl]pyrrol-2-yl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCOc1ccccc1Cn1cccc1C1=NC(C)(C)CO1
InChIInChI=1S/C17H20N2O2/c1-17(2)12-21-16(18-17)14-8-6-10-19(14)11-13-7-4-5-9-15(13)20-3/h4-10H,11-12H2,1-3H3
InChIKeyIYWJCHLJNBELFY-UHFFFAOYSA-N
XLogP3.10
TPSA35.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methoxyphenyl)methyl]pyrrol-2-yl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[1-[(2-methoxyphenyl)methyl]pyrrol-2-yl]-4,4-dimethyl-5H-1,3-oxazole (CID 20853095) is 2-[1-[(2-methoxyphenyl)methyl]pyrrol-2-yl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[1-[(2-methoxyphenyl)methyl]pyrrol-2-yl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[1-[(2-methoxyphenyl)methyl]pyrrol-2-yl]-4,4-dimethyl-5H-1,3-oxazole is COc1ccccc1Cn1cccc1C1=NC(C)(C)CO1.
What is the InChIKey of 2-[1-[(2-methoxyphenyl)methyl]pyrrol-2-yl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is IYWJCHLJNBELFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-17(2)12-21-16(18-17)14-8-6-10-19(14)11-13-7-4-5-9-15(13)20-3/h4-10H,11-12H2,1-3H3.
What are the key properties of 2-[1-[(2-methoxyphenyl)methyl]pyrrol-2-yl]-4,4-dimethyl-5H-1,3-oxazole?
2-[1-[(2-methoxyphenyl)methyl]pyrrol-2-yl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 284.36 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methoxyphenyl)methyl]pyrrol-2-yl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 20853095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).