5-[(2-methylpyrrolidin-1-yl)methyl]-1,2-oxazole

C9H14N2O — CID 130739945

IUPAC5-[(2-methylpyrrolidin-1-yl)methyl]-1,2-oxazole
SMILESCC1CCCN1Cc1ccno1
InChIInChI=1S/C9H14N2O/c1-8-3-2-6-11(8)7-9-4-5-10-12-9/h4-5,8H,2-3,6-7H2,1H3
InChIKeySTEJTRJETUADPY-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.66
Rot. Bonds2

About 5-[(2-methylpyrrolidin-1-yl)methyl]-1,2-oxazole

5-[(2-methylpyrrolidin-1-yl)methyl]-1,2-oxazole (PubChem CID 130739945) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 5-[(2-methylpyrrolidin-1-yl)methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-[(2-methylpyrrolidin-1-yl)methyl]-1,2-oxazole
PubChem CID130739945
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name5-[(2-methylpyrrolidin-1-yl)methyl]-1,2-oxazole
SMILESCC1CCCN1Cc1ccno1
InChIInChI=1S/C9H14N2O/c1-8-3-2-6-11(8)7-9-4-5-10-12-9/h4-5,8H,2-3,6-7H2,1H3
InChIKeySTEJTRJETUADPY-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

5-[[(2R)-2-methylpiperazin-1-yl]methyl]-1,2-oxazole
CID 82713453
2,3-dimethyl-1-(1,2-oxazol-5-ylmethyl)piperidin-4-amine
CID 106418263
2-methyl-1-[(5-methylfuran-2-yl)methyl]pyrrolidine
CID 130718603
N-[[1-(1,2-oxazol-5-ylmethyl)piperidin-2-yl]methyl]propan-2-amine
CID 55256464
2-[1-(1,2-oxazol-5-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 79549274
N,N-dimethyl-3-[(2R)-1-(1,2-oxazol-5-ylmethyl)pyrrolidin-2-yl]aniline
CID 95901092
[5-[(2-methylpyrrolidin-1-yl)methyl]furan-2-yl]methanol
CID 115882863
5-[(5-cyclopropyl-2-methylpiperazin-1-yl)methyl]-1,2-oxazole
CID 106421827
N-[[5-[(2-methylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62438242
3-methyl-2-(1,2-oxazol-5-ylmethyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 106422203
3-(ethylamino)-1-(1,2-oxazol-5-ylmethyl)piperidin-2-one
CID 106421364
[5-methyl-4-(1,2-oxazol-5-ylmethyl)morpholin-2-yl]methanol
CID 81219706

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylpyrrolidin-1-yl)methyl]-1,2-oxazole?
The IUPAC name of 5-[(2-methylpyrrolidin-1-yl)methyl]-1,2-oxazole (CID 130739945) is 5-[(2-methylpyrrolidin-1-yl)methyl]-1,2-oxazole.
What is the SMILES notation for 5-[(2-methylpyrrolidin-1-yl)methyl]-1,2-oxazole?
The canonical SMILES for 5-[(2-methylpyrrolidin-1-yl)methyl]-1,2-oxazole is CC1CCCN1Cc1ccno1.
What is the InChIKey of 5-[(2-methylpyrrolidin-1-yl)methyl]-1,2-oxazole?
The InChIKey is STEJTRJETUADPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-8-3-2-6-11(8)7-9-4-5-10-12-9/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of 5-[(2-methylpyrrolidin-1-yl)methyl]-1,2-oxazole?
5-[(2-methylpyrrolidin-1-yl)methyl]-1,2-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 5-[(2-methylpyrrolidin-1-yl)methyl]-1,2-oxazole is sourced from PubChem (CID 130739945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).