1-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine

C16H29N3O — CID 65401192

IUPAC1-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCCC(N)Cc1nc(C2CCC(C(C)C)CC2)no1
InChIInChI=1S/C16H29N3O/c1-4-5-14(17)10-15-18-16(19-20-15)13-8-6-12(7-9-13)11(2)3/h11-14H,4-10,17H2,1-3H3
InChIKeyDHGJMZUFJLVAMN-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.67
Rot. Bonds6

About 1-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine

1-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (PubChem CID 65401192) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.

Molecular Properties

Compound Name1-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
PubChem CID65401192
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name1-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCCC(N)Cc1nc(C2CCC(C(C)C)CC2)no1
InChIInChI=1S/C16H29N3O/c1-4-5-14(17)10-15-18-16(19-20-15)13-8-6-12(7-9-13)11(2)3/h11-14H,4-10,17H2,1-3H3
InChIKeyDHGJMZUFJLVAMN-UHFFFAOYSA-N
XLogP3.67
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 65334686
1-cyclopropyl-2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65401397
N-methyl-1-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 65401601
1-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 115997649
1-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylpropan-2-amine
CID 65401399
N-[[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 65422880
1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65414274
1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 65423654
N-[[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 65424237
3-methyl-4-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106524922
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63348149
(1R)-1-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915347

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The IUPAC name of 1-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (CID 65401192) is 1-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.
What is the SMILES notation for 1-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The canonical SMILES for 1-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is CCCC(N)Cc1nc(C2CCC(C(C)C)CC2)no1.
What is the InChIKey of 1-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The InChIKey is DHGJMZUFJLVAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-4-5-14(17)10-15-18-16(19-20-15)13-8-6-12(7-9-13)11(2)3/h11-14H,4-10,17H2,1-3H3.
What are the key properties of 1-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
1-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine has a molecular weight of 279.43 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is sourced from PubChem (CID 65401192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).