4-ethyl-1-[5-(thian-4-ylmethyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine

C16H27N3OS — CID 83138229

IUPAC4-ethyl-1-[5-(thian-4-ylmethyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
SMILESCCC1CCC(N)(c2noc(CC3CCSCC3)n2)CC1
InChIInChI=1S/C16H27N3OS/c1-2-12-3-7-16(17,8-4-12)15-18-14(20-19-15)11-13-5-9-21-10-6-13/h12-13H,2-11,17H2,1H3
InChIKeyKFVVZRVLXMBACZ-UHFFFAOYSA-N
MW309.48 g/mol
LogP3.51
Rot. Bonds4

About 4-ethyl-1-[5-(thian-4-ylmethyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine

4-ethyl-1-[5-(thian-4-ylmethyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine (PubChem CID 83138229) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is 4-ethyl-1-[5-(thian-4-ylmethyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-1-[5-(thian-4-ylmethyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
PubChem CID83138229
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC Name4-ethyl-1-[5-(thian-4-ylmethyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
SMILESCCC1CCC(N)(c2noc(CC3CCSCC3)n2)CC1
InChIInChI=1S/C16H27N3OS/c1-2-12-3-7-16(17,8-4-12)15-18-14(20-19-15)11-13-5-9-21-10-6-13/h12-13H,2-11,17H2,1H3
InChIKeyKFVVZRVLXMBACZ-UHFFFAOYSA-N
XLogP3.51
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
CID 61351527
1-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]-4-ethylcyclohexan-1-amine
CID 61351745
1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine;hydrochloride
CID 71757439
4-(5-ethyl-1,2,4-oxadiazol-3-yl)thian-4-amine
CID 61339130
1-[5-(1-cyclopropylethyl)-1,2,4-oxadiazol-3-yl]-4-ethylcyclohexan-1-amine
CID 83148343
1-[5-(thian-4-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 83137324
1-[5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
CID 103166227
4-ethyl-1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 106828747
1-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-propylcycloheptan-1-amine
CID 65090399
4-ethyl-1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61353339
1-[5-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862018
4-ethyl-1-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 63023402

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[5-(thian-4-ylmethyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
The IUPAC name of 4-ethyl-1-[5-(thian-4-ylmethyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine (CID 83138229) is 4-ethyl-1-[5-(thian-4-ylmethyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-1-[5-(thian-4-ylmethyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-1-[5-(thian-4-ylmethyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine is CCC1CCC(N)(c2noc(CC3CCSCC3)n2)CC1.
What is the InChIKey of 4-ethyl-1-[5-(thian-4-ylmethyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
The InChIKey is KFVVZRVLXMBACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-2-12-3-7-16(17,8-4-12)15-18-14(20-19-15)11-13-5-9-21-10-6-13/h12-13H,2-11,17H2,1H3.
What are the key properties of 4-ethyl-1-[5-(thian-4-ylmethyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
4-ethyl-1-[5-(thian-4-ylmethyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine has a molecular weight of 309.48 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[5-(thian-4-ylmethyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine is sourced from PubChem (CID 83138229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).