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

C15H25N3O2 — CID 106474441

IUPACN-methyl-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
SMILESCNC1CCOCC1c1nc(C2CCC(C)CC2)no1
InChIInChI=1S/C15H25N3O2/c1-10-3-5-11(6-4-10)14-17-15(20-18-14)12-9-19-8-7-13(12)16-2/h10-13,16H,3-9H2,1-2H3
InChIKeyNFPBIOZRDCVGCH-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.46
Rot. Bonds3

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

N-methyl-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine (PubChem CID 106474441) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-methyl-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine.

Molecular Properties

Compound NameN-methyl-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
PubChem CID106474441
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-methyl-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
SMILESCNC1CCOCC1c1nc(C2CCC(C)CC2)no1
InChIInChI=1S/C15H25N3O2/c1-10-3-5-11(6-4-10)14-17-15(20-18-14)12-9-19-8-7-13(12)16-2/h10-13,16H,3-9H2,1-2H3
InChIKeyNFPBIOZRDCVGCH-UHFFFAOYSA-N
XLogP2.46
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 63350797
4-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-N-methyloxolan-3-amine
CID 66237641
N,N-dimethyl-5-[4-(methylamino)oxan-3-yl]-1,2,4-oxadiazol-3-amine
CID 106474742
N-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 65334735
N-methyl-4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66266076
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylthiolan-3-amine
CID 83201312
N-methyl-4-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83201490
N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)oxan-4-amine
CID 106474300
3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine
CID 106474625
3-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine
CID 106474530
3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine
CID 106474680
N-methyl-3-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 106474581

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine?
The IUPAC name of N-methyl-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine (CID 106474441) is N-methyl-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine.
What is the SMILES notation for N-methyl-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine?
The canonical SMILES for N-methyl-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine is CNC1CCOCC1c1nc(C2CCC(C)CC2)no1.
What is the InChIKey of N-methyl-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine?
The InChIKey is NFPBIOZRDCVGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-10-3-5-11(6-4-10)14-17-15(20-18-14)12-9-19-8-7-13(12)16-2/h10-13,16H,3-9H2,1-2H3.
What are the key properties of N-methyl-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine?
N-methyl-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine has a molecular weight of 279.38 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine is sourced from PubChem (CID 106474441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).