3-methyl-5-[[3-(3-methylbutoxy)pyrrolidin-1-yl]methyl]-1,2-oxazole

C14H24N2O2 — CID 71859846

IUPAC3-methyl-5-[[3-(3-methylbutoxy)pyrrolidin-1-yl]methyl]-1,2-oxazole
SMILESCc1cc(CN2CCC(OCCC(C)C)C2)on1
InChIInChI=1S/C14H24N2O2/c1-11(2)5-7-17-13-4-6-16(9-13)10-14-8-12(3)15-18-14/h8,11,13H,4-7,9-10H2,1-3H3
InChIKeyDPNAIOHLUZMDMB-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.62
Rot. Bonds6

About 3-methyl-5-[[3-(3-methylbutoxy)pyrrolidin-1-yl]methyl]-1,2-oxazole

3-methyl-5-[[3-(3-methylbutoxy)pyrrolidin-1-yl]methyl]-1,2-oxazole (PubChem CID 71859846) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-methyl-5-[[3-(3-methylbutoxy)pyrrolidin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[[3-(3-methylbutoxy)pyrrolidin-1-yl]methyl]-1,2-oxazole
PubChem CID71859846
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name3-methyl-5-[[3-(3-methylbutoxy)pyrrolidin-1-yl]methyl]-1,2-oxazole
SMILESCc1cc(CN2CCC(OCCC(C)C)C2)on1
InChIInChI=1S/C14H24N2O2/c1-11(2)5-7-17-13-4-6-16(9-13)10-14-8-12(3)15-18-14/h8,11,13H,4-7,9-10H2,1-3H3
InChIKeyDPNAIOHLUZMDMB-UHFFFAOYSA-N
XLogP2.62
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]oxyethanol
CID 115771137
3-methyl-5-[[(1S,6R)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methyl]-1,2-oxazole
CID 97004937
1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]ethanamine
CID 63594677
5-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-3-methyl-1,2-oxazole;hydrochloride
CID 120966375
5-[(3-fluoropiperidin-1-yl)methyl]-3-methyl-1,2-oxazole
CID 171704888
[4-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]methanamine
CID 114961443
(3R,4S)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3,4-diol
CID 115278409
N-cyclopropyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 87015164
5-[(3-butan-2-yl-1,4-diazepan-1-yl)methyl]-3-methyl-1,2-oxazole
CID 64951129
3-methyl-5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,2-oxazole
CID 53017358
5-[[(3R)-3-(3-fluorophenyl)pyrrolidin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 95313681
1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 110905121

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[[3-(3-methylbutoxy)pyrrolidin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[[3-(3-methylbutoxy)pyrrolidin-1-yl]methyl]-1,2-oxazole (CID 71859846) is 3-methyl-5-[[3-(3-methylbutoxy)pyrrolidin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[[3-(3-methylbutoxy)pyrrolidin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[[3-(3-methylbutoxy)pyrrolidin-1-yl]methyl]-1,2-oxazole is Cc1cc(CN2CCC(OCCC(C)C)C2)on1.
What is the InChIKey of 3-methyl-5-[[3-(3-methylbutoxy)pyrrolidin-1-yl]methyl]-1,2-oxazole?
The InChIKey is DPNAIOHLUZMDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-11(2)5-7-17-13-4-6-16(9-13)10-14-8-12(3)15-18-14/h8,11,13H,4-7,9-10H2,1-3H3.
What are the key properties of 3-methyl-5-[[3-(3-methylbutoxy)pyrrolidin-1-yl]methyl]-1,2-oxazole?
3-methyl-5-[[3-(3-methylbutoxy)pyrrolidin-1-yl]methyl]-1,2-oxazole has a molecular weight of 252.36 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[[3-(3-methylbutoxy)pyrrolidin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 71859846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).