4-[(2-methylpyrrolidin-1-yl)methyl]-1,3-oxazole

C9H14N2O — CID 130638362

IUPAC4-[(2-methylpyrrolidin-1-yl)methyl]-1,3-oxazole
SMILESCC1CCCN1Cc1cocn1
InChIInChI=1S/C9H14N2O/c1-8-3-2-4-11(8)5-9-6-12-7-10-9/h6-8H,2-5H2,1H3
InChIKeyUMMOWLZPIFMXIA-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.66
Rot. Bonds2

About 4-[(2-methylpyrrolidin-1-yl)methyl]-1,3-oxazole

4-[(2-methylpyrrolidin-1-yl)methyl]-1,3-oxazole (PubChem CID 130638362) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 4-[(2-methylpyrrolidin-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name4-[(2-methylpyrrolidin-1-yl)methyl]-1,3-oxazole
PubChem CID130638362
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name4-[(2-methylpyrrolidin-1-yl)methyl]-1,3-oxazole
SMILESCC1CCCN1Cc1cocn1
InChIInChI=1S/C9H14N2O/c1-8-3-2-4-11(8)5-9-6-12-7-10-9/h6-8H,2-5H2,1H3
InChIKeyUMMOWLZPIFMXIA-UHFFFAOYSA-N
XLogP1.66
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,5-dimethylpyrrolidin-1-yl)methyl]-1,3-oxazole
CID 130627698
N-ethyl-5-[(2-methylpyrrolidin-1-yl)methyl]pyrazin-2-amine
CID 103055350
2-bromo-6-[(2-methylpyrrolidin-1-yl)methyl]pyridine
CID 126985647
4-methyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one
CID 20589961
5-[(2-methylazepan-1-yl)methyl]pyrazin-2-amine
CID 103056511
4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1,3-oxazole
CID 131201638
5-[(2-methylpyrrolidin-1-yl)methyl]-1,2-oxazole
CID 130739945
2-chloro-4-[(2-methylazepan-1-yl)methyl]-1,3-thiazole
CID 130552539
2-methoxy-5-[(2-methylpyrrolidin-1-yl)methyl]pyrimidine
CID 169307356
1-(furan-3-ylmethyl)-2-methylpiperidine
CID 131067183
2-[4-(3-chloropropoxy)phenyl]-4-[(2-methylpyrrolidin-1-yl)methyl]-1,3-oxazole
CID 59457498
2-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]pyridine
CID 62471451

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpyrrolidin-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 4-[(2-methylpyrrolidin-1-yl)methyl]-1,3-oxazole (CID 130638362) is 4-[(2-methylpyrrolidin-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 4-[(2-methylpyrrolidin-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 4-[(2-methylpyrrolidin-1-yl)methyl]-1,3-oxazole is CC1CCCN1Cc1cocn1.
What is the InChIKey of 4-[(2-methylpyrrolidin-1-yl)methyl]-1,3-oxazole?
The InChIKey is UMMOWLZPIFMXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-8-3-2-4-11(8)5-9-6-12-7-10-9/h6-8H,2-5H2,1H3.
What are the key properties of 4-[(2-methylpyrrolidin-1-yl)methyl]-1,3-oxazole?
4-[(2-methylpyrrolidin-1-yl)methyl]-1,3-oxazole has a molecular weight of 166.22 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpyrrolidin-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 130638362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).