3-[(3-tert-butylpyrrolidin-1-yl)methyl]-5-methyl-1,2-oxazole

C13H22N2O — CID 58235129

IUPAC3-[(3-tert-butylpyrrolidin-1-yl)methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(CN2CCC(C(C)(C)C)C2)no1
InChIInChI=1S/C13H22N2O/c1-10-7-12(14-16-10)9-15-6-5-11(8-15)13(2,3)4/h7,11H,5-6,8-9H2,1-4H3
InChIKeyFUVUVTCEYQKLDA-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.85
Rot. Bonds2

About 3-[(3-tert-butylpyrrolidin-1-yl)methyl]-5-methyl-1,2-oxazole

3-[(3-tert-butylpyrrolidin-1-yl)methyl]-5-methyl-1,2-oxazole (PubChem CID 58235129) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-[(3-tert-butylpyrrolidin-1-yl)methyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[(3-tert-butylpyrrolidin-1-yl)methyl]-5-methyl-1,2-oxazole
PubChem CID58235129
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name3-[(3-tert-butylpyrrolidin-1-yl)methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(CN2CCC(C(C)(C)C)C2)no1
InChIInChI=1S/C13H22N2O/c1-10-7-12(14-16-10)9-15-6-5-11(8-15)13(2,3)4/h7,11H,5-6,8-9H2,1-4H3
InChIKeyFUVUVTCEYQKLDA-UHFFFAOYSA-N
XLogP2.85
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-ol
CID 62917538
2-methyl-N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 55081638
3-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 172891629
2-methyl-N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]methyl]propan-2-amine
CID 55256260
1-[(5-methyl-1,2-oxazol-3-yl)methyl]azetidin-3-amine
CID 65250257
3-[(3,5-dimethylpiperazin-1-yl)methyl]-5-methyl-1,2-oxazole
CID 63872193
5-methyl-3-[(4-methyl-3-phenylpiperazin-1-yl)methyl]-1,2-oxazole
CID 110098343
1-[6-[(3-tert-butylpyrrolidin-1-yl)methyl]-2-pyridinyl]-N-methylmethanamine
CID 106907083
5-methyl-3-[[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 125012518
(5S,6S)-8-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol
CID 110155818
1,1,3-trimethyl-3-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]urea
CID 166603414
[5-[(3-tert-butylpyrrolidin-1-yl)methyl]pyrazin-2-yl]hydrazine
CID 103061199

Frequently Asked Questions

What is the IUPAC name of 3-[(3-tert-butylpyrrolidin-1-yl)methyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[(3-tert-butylpyrrolidin-1-yl)methyl]-5-methyl-1,2-oxazole (CID 58235129) is 3-[(3-tert-butylpyrrolidin-1-yl)methyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[(3-tert-butylpyrrolidin-1-yl)methyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[(3-tert-butylpyrrolidin-1-yl)methyl]-5-methyl-1,2-oxazole is Cc1cc(CN2CCC(C(C)(C)C)C2)no1.
What is the InChIKey of 3-[(3-tert-butylpyrrolidin-1-yl)methyl]-5-methyl-1,2-oxazole?
The InChIKey is FUVUVTCEYQKLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10-7-12(14-16-10)9-15-6-5-11(8-15)13(2,3)4/h7,11H,5-6,8-9H2,1-4H3.
What are the key properties of 3-[(3-tert-butylpyrrolidin-1-yl)methyl]-5-methyl-1,2-oxazole?
3-[(3-tert-butylpyrrolidin-1-yl)methyl]-5-methyl-1,2-oxazole has a molecular weight of 222.33 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-tert-butylpyrrolidin-1-yl)methyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 58235129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).