N-cyclohexyl-5-phenyl-1,2,4-oxadiazol-3-amine

C14H17N3O — CID 133481460

IUPACN-cyclohexyl-5-phenyl-1,2,4-oxadiazol-3-amine
SMILESc1ccc(-c2nc(NC3CCCCC3)no2)cc1
InChIInChI=1S/C14H17N3O/c1-3-7-11(8-4-1)13-16-14(17-18-13)15-12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2,(H,15,17)
InChIKeyKBARPBVUWDWVIM-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.48
Rot. Bonds3

About N-cyclohexyl-5-phenyl-1,2,4-oxadiazol-3-amine

N-cyclohexyl-5-phenyl-1,2,4-oxadiazol-3-amine (PubChem CID 133481460) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-cyclohexyl-5-phenyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound NameN-cyclohexyl-5-phenyl-1,2,4-oxadiazol-3-amine
PubChem CID133481460
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-cyclohexyl-5-phenyl-1,2,4-oxadiazol-3-amine
SMILESc1ccc(-c2nc(NC3CCCCC3)no2)cc1
InChIInChI=1S/C14H17N3O/c1-3-7-11(8-4-1)13-16-14(17-18-13)15-12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2,(H,15,17)
InChIKeyKBARPBVUWDWVIM-UHFFFAOYSA-N
XLogP3.48
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]acetamide
CID 133482547
N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-5-phenyl-1,2,4-oxadiazol-3-amine
CID 133483331
N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-5-phenyl-1,2,4-oxadiazol-3-amine
CID 133483006
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-5-phenyl-1,2,4-oxadiazol-3-amine
CID 133482389
2-methyl-2-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]cyclohexan-1-ol
CID 133483845
N-cyclohexyl-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide
CID 91905560
5-phenyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1,2,4-oxadiazol-3-amine
CID 135094889
2-(cyclooctylamino)-4-phenylpyrimidine-5-carbonitrile
CID 158219239
1-phenyl-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]-3,5-dihydro-2-benzazepin-4-one
CID 153008370
N-(1-benzylpiperidin-4-yl)-5-(3-bromothiophen-2-yl)-1,2,4-oxadiazol-3-amine
CID 44526856
1-(1-methylpyrazol-4-yl)-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pyrrolidin-2-one
CID 133483354
N-(5-phenyl-1,2,4-oxadiazol-3-yl)benzamide
CID 15643333

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-phenyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of N-cyclohexyl-5-phenyl-1,2,4-oxadiazol-3-amine (CID 133481460) is N-cyclohexyl-5-phenyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for N-cyclohexyl-5-phenyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for N-cyclohexyl-5-phenyl-1,2,4-oxadiazol-3-amine is c1ccc(-c2nc(NC3CCCCC3)no2)cc1.
What is the InChIKey of N-cyclohexyl-5-phenyl-1,2,4-oxadiazol-3-amine?
The InChIKey is KBARPBVUWDWVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-3-7-11(8-4-1)13-16-14(17-18-13)15-12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2,(H,15,17).
What are the key properties of N-cyclohexyl-5-phenyl-1,2,4-oxadiazol-3-amine?
N-cyclohexyl-5-phenyl-1,2,4-oxadiazol-3-amine has a molecular weight of 243.31 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-phenyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 133481460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).