(1R)-2,2-dimethyl-1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine

C12H22N4O2 — CID 104899550

IUPAC(1R)-2,2-dimethyl-1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCN1CCOC(c2noc([C@H](N)C(C)(C)C)n2)C1
InChIInChI=1S/C12H22N4O2/c1-12(2,3)9(13)11-14-10(15-18-11)8-7-16(4)5-6-17-8/h8-9H,5-7,13H2,1-4H3/t8?,9-/m0/s1
InChIKeyVBGGVRSQFWCFAT-GKAPJAKFSA-N
MW254.33 g/mol
LogP1.12
Rot. Bonds2

About (1R)-2,2-dimethyl-1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine

(1R)-2,2-dimethyl-1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine (PubChem CID 104899550) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is (1R)-2,2-dimethyl-1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name(1R)-2,2-dimethyl-1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
PubChem CID104899550
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name(1R)-2,2-dimethyl-1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCN1CCOC(c2noc([C@H](N)C(C)(C)C)n2)C1
InChIInChI=1S/C12H22N4O2/c1-12(2,3)9(13)11-14-10(15-18-11)8-7-16(4)5-6-17-8/h8-9H,5-7,13H2,1-4H3/t8?,9-/m0/s1
InChIKeyVBGGVRSQFWCFAT-GKAPJAKFSA-N
XLogP1.12
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1R)-2,2-dimethyl-1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine with MolForge

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Related Compounds

1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 79077645
1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 79071714
4-methoxy-1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 81086229
1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 79657430
N-methyl-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 79085496
3-methyl-1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 79085494
(1S)-1-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915391
(1S)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-2,2-dimethylpropan-1-amine
CID 93357432
2-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine
CID 79071831
cis-(1S,3R)-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106323443
1-[4-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
CID 79078237
2-methoxy-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 103157800

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-dimethyl-1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The IUPAC name of (1R)-2,2-dimethyl-1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine (CID 104899550) is (1R)-2,2-dimethyl-1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine.
What is the SMILES notation for (1R)-2,2-dimethyl-1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The canonical SMILES for (1R)-2,2-dimethyl-1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine is CN1CCOC(c2noc([C@H](N)C(C)(C)C)n2)C1.
What is the InChIKey of (1R)-2,2-dimethyl-1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The InChIKey is VBGGVRSQFWCFAT-GKAPJAKFSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-12(2,3)9(13)11-14-10(15-18-11)8-7-16(4)5-6-17-8/h8-9H,5-7,13H2,1-4H3/t8?,9-/m0/s1.
What are the key properties of (1R)-2,2-dimethyl-1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
(1R)-2,2-dimethyl-1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine has a molecular weight of 254.33 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-dimethyl-1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine is sourced from PubChem (CID 104899550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).