4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-2-(difluoromethyl)morpholine

C12H19F2N3O2 — CID 126810423

IUPAC4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-2-(difluoromethyl)morpholine
SMILESCC(C)(C)c1nnc(CN2CCOC(C(F)F)C2)o1
InChIInChI=1S/C12H19F2N3O2/c1-12(2,3)11-16-15-9(19-11)7-17-4-5-18-8(6-17)10(13)14/h8,10H,4-7H2,1-3H3
InChIKeyDTCXKNACIOWGFL-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.83
Rot. Bonds3

About 4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-2-(difluoromethyl)morpholine

4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-2-(difluoromethyl)morpholine (PubChem CID 126810423) has the molecular formula C12H19F2N3O2 and a molecular weight of 275.30 g/mol. Its IUPAC name is 4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-2-(difluoromethyl)morpholine.

Molecular Properties

Compound Name4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-2-(difluoromethyl)morpholine
PubChem CID126810423
Molecular FormulaC12H19F2N3O2
Molecular Weight275.30 g/mol
Exact Mass275.14
IUPAC Name4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-2-(difluoromethyl)morpholine
SMILESCC(C)(C)c1nnc(CN2CCOC(C(F)F)C2)o1
InChIInChI=1S/C12H19F2N3O2/c1-12(2,3)11-16-15-9(19-11)7-17-4-5-18-8(6-17)10(13)14/h8,10H,4-7H2,1-3H3
InChIKeyDTCXKNACIOWGFL-UHFFFAOYSA-N
XLogP1.83
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-2-yl]methanamine
CID 114398947
1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-methylpyrrolidin-3-amine
CID 113281984
2-tert-butyl-5-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 94114626
1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-3-carboxylic acid
CID 63032224
1-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]ethanamine
CID 103976515
1-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63267470
1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylpiperidin-4-amine
CID 79867727
ethyl (3S)-1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-3-carboxylate
CID 81338403
2-tert-butyl-5-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 71892441
2-(difluoromethyl)-4-(2-methylprop-2-enyl)morpholine
CID 130693715
5-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione
CID 71927210
(5R)-5-[(3S)-1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione
CID 96513827

Frequently Asked Questions

What is the IUPAC name of 4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-2-(difluoromethyl)morpholine?
The IUPAC name of 4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-2-(difluoromethyl)morpholine (CID 126810423) is 4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-2-(difluoromethyl)morpholine.
What is the SMILES notation for 4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-2-(difluoromethyl)morpholine?
The canonical SMILES for 4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-2-(difluoromethyl)morpholine is CC(C)(C)c1nnc(CN2CCOC(C(F)F)C2)o1.
What is the InChIKey of 4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-2-(difluoromethyl)morpholine?
The InChIKey is DTCXKNACIOWGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3O2/c1-12(2,3)11-16-15-9(19-11)7-17-4-5-18-8(6-17)10(13)14/h8,10H,4-7H2,1-3H3.
What are the key properties of 4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-2-(difluoromethyl)morpholine?
4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-2-(difluoromethyl)morpholine has a molecular weight of 275.30 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-2-(difluoromethyl)morpholine is sourced from PubChem (CID 126810423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).