4-(1-methylpyrrol-2-yl)-2-pentan-2-yl-1,3-oxazole

C13H18N2O — CID 70917863

IUPAC4-(1-methylpyrrol-2-yl)-2-pentan-2-yl-1,3-oxazole
SMILESCCCC(C)c1nc(-c2cccn2C)co1
InChIInChI=1S/C13H18N2O/c1-4-6-10(2)13-14-11(9-16-13)12-7-5-8-15(12)3/h5,7-10H,4,6H2,1-3H3
InChIKeyKLQRUZACVOVFES-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.58
Rot. Bonds4

About 4-(1-methylpyrrol-2-yl)-2-pentan-2-yl-1,3-oxazole

4-(1-methylpyrrol-2-yl)-2-pentan-2-yl-1,3-oxazole (PubChem CID 70917863) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 4-(1-methylpyrrol-2-yl)-2-pentan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-(1-methylpyrrol-2-yl)-2-pentan-2-yl-1,3-oxazole
PubChem CID70917863
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name4-(1-methylpyrrol-2-yl)-2-pentan-2-yl-1,3-oxazole
SMILESCCCC(C)c1nc(-c2cccn2C)co1
InChIInChI=1S/C13H18N2O/c1-4-6-10(2)13-14-11(9-16-13)12-7-5-8-15(12)3/h5,7-10H,4,6H2,1-3H3
InChIKeyKLQRUZACVOVFES-UHFFFAOYSA-N
XLogP3.58
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrrol-2-yl)-2-pentan-2-yl-1,3-oxazole?
The IUPAC name of 4-(1-methylpyrrol-2-yl)-2-pentan-2-yl-1,3-oxazole (CID 70917863) is 4-(1-methylpyrrol-2-yl)-2-pentan-2-yl-1,3-oxazole.
What is the SMILES notation for 4-(1-methylpyrrol-2-yl)-2-pentan-2-yl-1,3-oxazole?
The canonical SMILES for 4-(1-methylpyrrol-2-yl)-2-pentan-2-yl-1,3-oxazole is CCCC(C)c1nc(-c2cccn2C)co1.
What is the InChIKey of 4-(1-methylpyrrol-2-yl)-2-pentan-2-yl-1,3-oxazole?
The InChIKey is KLQRUZACVOVFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-4-6-10(2)13-14-11(9-16-13)12-7-5-8-15(12)3/h5,7-10H,4,6H2,1-3H3.
What are the key properties of 4-(1-methylpyrrol-2-yl)-2-pentan-2-yl-1,3-oxazole?
4-(1-methylpyrrol-2-yl)-2-pentan-2-yl-1,3-oxazole has a molecular weight of 218.30 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrrol-2-yl)-2-pentan-2-yl-1,3-oxazole is sourced from PubChem (CID 70917863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).