3-(4-methylphenyl)-N-(2-phenyloxan-4-yl)-1,2,4-oxadiazol-5-amine

C20H21N3O2 — CID 133474067

IUPAC3-(4-methylphenyl)-N-(2-phenyloxan-4-yl)-1,2,4-oxadiazol-5-amine
SMILESCc1ccc(-c2noc(NC3CCOC(c4ccccc4)C3)n2)cc1
InChIInChI=1S/C20H21N3O2/c1-14-7-9-16(10-8-14)19-22-20(25-23-19)21-17-11-12-24-18(13-17)15-5-3-2-4-6-15/h2-10,17-18H,11-13H2,1H3,(H,21,22,23)
InChIKeyMBPSQWSHDJZSSB-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.38
Rot. Bonds4

About 3-(4-methylphenyl)-N-(2-phenyloxan-4-yl)-1,2,4-oxadiazol-5-amine

3-(4-methylphenyl)-N-(2-phenyloxan-4-yl)-1,2,4-oxadiazol-5-amine (PubChem CID 133474067) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-(2-phenyloxan-4-yl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-(2-phenyloxan-4-yl)-1,2,4-oxadiazol-5-amine
PubChem CID133474067
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name3-(4-methylphenyl)-N-(2-phenyloxan-4-yl)-1,2,4-oxadiazol-5-amine
SMILESCc1ccc(-c2noc(NC3CCOC(c4ccccc4)C3)n2)cc1
InChIInChI=1S/C20H21N3O2/c1-14-7-9-16(10-8-14)19-22-20(25-23-19)21-17-11-12-24-18(13-17)15-5-3-2-4-6-15/h2-10,17-18H,11-13H2,1H3,(H,21,22,23)
InChIKeyMBPSQWSHDJZSSB-UHFFFAOYSA-N
XLogP4.38
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-phenyloxan-4-yl)quinolin-2-amine
CID 133474130
4-phenyl-N-(2-phenyloxan-4-yl)-1,3-thiazol-2-amine
CID 133474166
N-(4-methyl-2-nitrophenyl)-2-phenyloxan-4-amine
CID 133473991
N-(2-phenyloxan-4-yl)-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 133474026
3-N,3-N-dimethyl-2-N-(2-phenyloxan-4-yl)pyrazine-2,3-diamine
CID 133475832
N-cyclohexyl-3-(3-methylphenyl)-1,2,4-oxadiazol-5-amine
CID 119027837
3-cyclopropyl-N-(2-phenyloxan-4-yl)-1,2,4-thiadiazol-5-amine
CID 133474148
N-cyclopropyl-3-(2-methylphenyl)-1,2,4-oxadiazol-5-amine
CID 62595048
1-[3-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]piperidin-1-yl]ethanone
CID 122569461
[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 131931943
N-cyclohexyl-3-(2-methylphenyl)-1,2,4-oxadiazol-5-amine
CID 119027868
7,8-dimethyl-N-(2-phenyloxan-4-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133473979

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-(2-phenyloxan-4-yl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(4-methylphenyl)-N-(2-phenyloxan-4-yl)-1,2,4-oxadiazol-5-amine (CID 133474067) is 3-(4-methylphenyl)-N-(2-phenyloxan-4-yl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(4-methylphenyl)-N-(2-phenyloxan-4-yl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(4-methylphenyl)-N-(2-phenyloxan-4-yl)-1,2,4-oxadiazol-5-amine is Cc1ccc(-c2noc(NC3CCOC(c4ccccc4)C3)n2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-(2-phenyloxan-4-yl)-1,2,4-oxadiazol-5-amine?
The InChIKey is MBPSQWSHDJZSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-14-7-9-16(10-8-14)19-22-20(25-23-19)21-17-11-12-24-18(13-17)15-5-3-2-4-6-15/h2-10,17-18H,11-13H2,1H3,(H,21,22,23).
What are the key properties of 3-(4-methylphenyl)-N-(2-phenyloxan-4-yl)-1,2,4-oxadiazol-5-amine?
3-(4-methylphenyl)-N-(2-phenyloxan-4-yl)-1,2,4-oxadiazol-5-amine has a molecular weight of 335.41 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-(2-phenyloxan-4-yl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 133474067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).