4-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine

C15H25N3O3 — CID 116742423

IUPAC4-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
SMILESCOC1(c2noc(C3(N)CCOCC3)n2)CCC(C)CC1
InChIInChI=1S/C15H25N3O3/c1-11-3-5-15(19-2,6-4-11)12-17-13(21-18-12)14(16)7-9-20-10-8-14/h11H,3-10,16H2,1-2H3
InChIKeyMECBMWVCFYDNBN-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.09
Rot. Bonds3

About 4-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine

4-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine (PubChem CID 116742423) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 4-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine.

Molecular Properties

Compound Name4-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
PubChem CID116742423
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name4-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
SMILESCOC1(c2noc(C3(N)CCOCC3)n2)CCC(C)CC1
InChIInChI=1S/C15H25N3O3/c1-11-3-5-15(19-2,6-4-11)12-17-13(21-18-12)14(16)7-9-20-10-8-14/h11H,3-10,16H2,1-2H3
InChIKeyMECBMWVCFYDNBN-UHFFFAOYSA-N
XLogP2.09
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-amine
CID 116742455
2-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
CID 116742448
4-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 115292653
5-(3-ethylpyrrolidin-3-yl)-3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazole
CID 116742440
3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-amine
CID 116742083
[4-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
CID 116701465
(1R)-1-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565597
N-cyclopropyl-3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-amine
CID 116778277
3-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 116742445
2-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 116742504
2-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-1-amine
CID 116742460
3-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol
CID 116781727

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine?
The IUPAC name of 4-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine (CID 116742423) is 4-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine.
What is the SMILES notation for 4-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine?
The canonical SMILES for 4-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine is COC1(c2noc(C3(N)CCOCC3)n2)CCC(C)CC1.
What is the InChIKey of 4-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine?
The InChIKey is MECBMWVCFYDNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-11-3-5-15(19-2,6-4-11)12-17-13(21-18-12)14(16)7-9-20-10-8-14/h11H,3-10,16H2,1-2H3.
What are the key properties of 4-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine?
4-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine has a molecular weight of 295.38 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine is sourced from PubChem (CID 116742423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).