2-[5-(2,4,4-trimethylpentyl)-1,2,4-oxadiazol-3-yl]morpholine

C14H25N3O2 — CID 103971802

IUPAC2-[5-(2,4,4-trimethylpentyl)-1,2,4-oxadiazol-3-yl]morpholine
SMILESCC(Cc1nc(C2CNCCO2)no1)CC(C)(C)C
InChIInChI=1S/C14H25N3O2/c1-10(8-14(2,3)4)7-12-16-13(17-19-12)11-9-15-5-6-18-11/h10-11,15H,5-9H2,1-4H3
InChIKeyOMLYKPDQPRUFIM-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.35
Rot. Bonds4

About 2-[5-(2,4,4-trimethylpentyl)-1,2,4-oxadiazol-3-yl]morpholine

2-[5-(2,4,4-trimethylpentyl)-1,2,4-oxadiazol-3-yl]morpholine (PubChem CID 103971802) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[5-(2,4,4-trimethylpentyl)-1,2,4-oxadiazol-3-yl]morpholine.

Molecular Properties

Compound Name2-[5-(2,4,4-trimethylpentyl)-1,2,4-oxadiazol-3-yl]morpholine
PubChem CID103971802
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name2-[5-(2,4,4-trimethylpentyl)-1,2,4-oxadiazol-3-yl]morpholine
SMILESCC(Cc1nc(C2CNCCO2)no1)CC(C)(C)C
InChIInChI=1S/C14H25N3O2/c1-10(8-14(2,3)4)7-12-16-13(17-19-12)11-9-15-5-6-18-11/h10-11,15H,5-9H2,1-4H3
InChIKeyOMLYKPDQPRUFIM-UHFFFAOYSA-N
XLogP2.35
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 86276549
N-ethyl-N-[(3-morpholin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 138059178
3-pyrrolidin-2-yl-5-(2,4,4-trimethylpentyl)-1,2,4-oxadiazole
CID 55205851
2-[5-[(2,6-difluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine
CID 103972068
2-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103972002
2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971788
2-[5-(1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971807
2-[5-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine
CID 103971859
2-[5-(1-ethylcyclopentyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971782
3-(1-chloroethyl)-5-(2,4,4-trimethylpentyl)-1,2,4-oxadiazole
CID 102661256
4-propan-2-yl-2-[5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 79658286
2-[[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 66435398

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,4,4-trimethylpentyl)-1,2,4-oxadiazol-3-yl]morpholine?
The IUPAC name of 2-[5-(2,4,4-trimethylpentyl)-1,2,4-oxadiazol-3-yl]morpholine (CID 103971802) is 2-[5-(2,4,4-trimethylpentyl)-1,2,4-oxadiazol-3-yl]morpholine.
What is the SMILES notation for 2-[5-(2,4,4-trimethylpentyl)-1,2,4-oxadiazol-3-yl]morpholine?
The canonical SMILES for 2-[5-(2,4,4-trimethylpentyl)-1,2,4-oxadiazol-3-yl]morpholine is CC(Cc1nc(C2CNCCO2)no1)CC(C)(C)C.
What is the InChIKey of 2-[5-(2,4,4-trimethylpentyl)-1,2,4-oxadiazol-3-yl]morpholine?
The InChIKey is OMLYKPDQPRUFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-10(8-14(2,3)4)7-12-16-13(17-19-12)11-9-15-5-6-18-11/h10-11,15H,5-9H2,1-4H3.
What are the key properties of 2-[5-(2,4,4-trimethylpentyl)-1,2,4-oxadiazol-3-yl]morpholine?
2-[5-(2,4,4-trimethylpentyl)-1,2,4-oxadiazol-3-yl]morpholine has a molecular weight of 267.37 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,4,4-trimethylpentyl)-1,2,4-oxadiazol-3-yl]morpholine is sourced from PubChem (CID 103971802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).