(R)-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanamine

C17H17N3O — CID 104898615

IUPAC(R)-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanamine
SMILESCc1ccccc1Cc1noc([C@H](N)c2ccccc2)n1
InChIInChI=1S/C17H17N3O/c1-12-7-5-6-10-14(12)11-15-19-17(21-20-15)16(18)13-8-3-2-4-9-13/h2-10,16H,11,18H2,1H3/t16-/m1/s1
InChIKeySZQZZJBZDZQELR-MRXNPFEDSA-N
MW279.34 g/mol
LogP3.02
Rot. Bonds4

About (R)-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanamine

(R)-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanamine (PubChem CID 104898615) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is (R)-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanamine.

Molecular Properties

Compound Name(R)-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanamine
PubChem CID104898615
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name(R)-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanamine
SMILESCc1ccccc1Cc1noc([C@H](N)c2ccccc2)n1
InChIInChI=1S/C17H17N3O/c1-12-7-5-6-10-14(12)11-15-19-17(21-20-15)16(18)13-8-3-2-4-9-13/h2-10,16H,11,18H2,1H3/t16-/m1/s1
InChIKeySZQZZJBZDZQELR-MRXNPFEDSA-N
XLogP3.02
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-(3-benzyl-1,2,4-oxadiazol-5-yl)-phenylmethanamine
CID 29272835
cyclopropyl-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 62695171
(3-ethyl-1,2,4-oxadiazol-5-yl)-phenylmethanamine;hydrochloride
CID 146064560
(S)-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 104898638
phenyl-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 62551887
(S)-phenyl-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 104898633
(S)-phenyl-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 28538355
5-[1-(azetidin-3-yl)ethyl]-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole
CID 116682489
(R)-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 104898781
3-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 55201821
1-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 63349292
5-chloro-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole
CID 62596855

Frequently Asked Questions

What is the IUPAC name of (R)-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanamine?
The IUPAC name of (R)-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanamine (CID 104898615) is (R)-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanamine.
What is the SMILES notation for (R)-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanamine?
The canonical SMILES for (R)-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanamine is Cc1ccccc1Cc1noc([C@H](N)c2ccccc2)n1.
What is the InChIKey of (R)-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanamine?
The InChIKey is SZQZZJBZDZQELR-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12-7-5-6-10-14(12)11-15-19-17(21-20-15)16(18)13-8-3-2-4-9-13/h2-10,16H,11,18H2,1H3/t16-/m1/s1.
What are the key properties of (R)-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanamine?
(R)-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanamine has a molecular weight of 279.34 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanamine is sourced from PubChem (CID 104898615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).