N,4-dimethyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine

C14H25N3O2 — CID 63347217

IUPACN,4-dimethyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCNC(C)C(c1nc(CC2CCCO2)no1)C(C)C
InChIInChI=1S/C14H25N3O2/c1-9(2)13(10(3)15-4)14-16-12(17-19-14)8-11-6-5-7-18-11/h9-11,13,15H,5-8H2,1-4H3
InChIKeyVFQRICSIYRMKNN-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.14
Rot. Bonds6

About N,4-dimethyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine

N,4-dimethyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (PubChem CID 63347217) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N,4-dimethyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
PubChem CID63347217
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN,4-dimethyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCNC(C)C(c1nc(CC2CCCO2)no1)C(C)C
InChIInChI=1S/C14H25N3O2/c1-9(2)13(10(3)15-4)14-16-12(17-19-14)8-11-6-5-7-18-11/h9-11,13,15H,5-8H2,1-4H3
InChIKeyVFQRICSIYRMKNN-UHFFFAOYSA-N
XLogP2.14
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dimethyl-1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 43470381
(1R)-1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915241
2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-one
CID 63561422
1,1,1-trifluoro-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63744057
N,3,3-trimethyl-1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63347559
2-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol
CID 113391743
3-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine
CID 65138099
3-methyl-1-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 113391746
3-amino-1-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837262
1-methoxy-N-methyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63347046
5-[1-(3,4-dimethoxyphenyl)propan-2-yl]-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazole
CID 86786122
3-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine
CID 107924605

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The IUPAC name of N,4-dimethyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (CID 63347217) is N,4-dimethyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.
What is the SMILES notation for N,4-dimethyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The canonical SMILES for N,4-dimethyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is CNC(C)C(c1nc(CC2CCCO2)no1)C(C)C.
What is the InChIKey of N,4-dimethyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The InChIKey is VFQRICSIYRMKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-9(2)13(10(3)15-4)14-16-12(17-19-14)8-11-6-5-7-18-11/h9-11,13,15H,5-8H2,1-4H3.
What are the key properties of N,4-dimethyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
N,4-dimethyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine has a molecular weight of 267.37 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is sourced from PubChem (CID 63347217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).