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

C12H20N2O — CID 169242095

IUPAC4-[[3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,3-oxazole
SMILESCC(C)CC1CCN(Cc2cocn2)C1
InChIInChI=1S/C12H20N2O/c1-10(2)5-11-3-4-14(6-11)7-12-8-15-9-13-12/h8-11H,3-7H2,1-2H3
InChIKeyQHZYLSLMMHWYHD-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.54
Rot. Bonds4

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

4-[[3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,3-oxazole (PubChem CID 169242095) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 4-[[3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name4-[[3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,3-oxazole
PubChem CID169242095
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name4-[[3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,3-oxazole
SMILESCC(C)CC1CCN(Cc2cocn2)C1
InChIInChI=1S/C12H20N2O/c1-10(2)5-11-3-4-14(6-11)7-12-8-15-9-13-12/h8-11H,3-7H2,1-2H3
InChIKeyQHZYLSLMMHWYHD-UHFFFAOYSA-N
XLogP2.54
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 97319043
[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methanamine;hydrochloride
CID 130694081
N-methyl-1-[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methanamine;hydrochloride
CID 120838868
4-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3-oxazole;hydrochloride
CID 131160294
[3-[[3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120751873
1-(1,3-oxazol-4-ylmethyl)piperidine-3-carbonitrile
CID 123687188
N-methyl-N-[[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methyl]cyclopropanesulfonamide
CID 171324311
3,3-dimethyl-1-(1,3-oxazol-4-ylmethyl)piperidin-4-amine
CID 120847083
4-[(2,5-dimethylpyrrolidin-1-yl)methyl]-1,3-oxazole
CID 130627698
4-[(4-cyclohexylpiperazin-1-yl)methyl]-1,3-oxazole
CID 171700812
N-methyl-N-[1-(1,3-oxazol-4-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide
CID 172880855
4-[(2-methylpyrrolidin-1-yl)methyl]-1,3-oxazole
CID 130638362

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 4-[[3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,3-oxazole (CID 169242095) is 4-[[3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 4-[[3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 4-[[3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,3-oxazole is CC(C)CC1CCN(Cc2cocn2)C1.
What is the InChIKey of 4-[[3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,3-oxazole?
The InChIKey is QHZYLSLMMHWYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-10(2)5-11-3-4-14(6-11)7-12-8-15-9-13-12/h8-11H,3-7H2,1-2H3.
What are the key properties of 4-[[3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,3-oxazole?
4-[[3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,3-oxazole has a molecular weight of 208.31 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 169242095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).