[5-(3-methyl-5-phosphanylphenyl)-1,3,4-oxadiazol-2-yl]methanamine

C10H12N3OP — CID 143470907

IUPAC[5-(3-methyl-5-phosphanylphenyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESCc1cc(P)cc(-c2nnc(CN)o2)c1
InChIInChI=1S/C10H12N3OP/c1-6-2-7(4-8(15)3-6)10-13-12-9(5-11)14-10/h2-4H,5,11,15H2,1H3
InChIKeyRNAPRYRIPBVSKV-UHFFFAOYSA-N
MW221.20 g/mol
LogP1.00
Rot. Bonds2

About [5-(3-methyl-5-phosphanylphenyl)-1,3,4-oxadiazol-2-yl]methanamine

[5-(3-methyl-5-phosphanylphenyl)-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 143470907) has the molecular formula C10H12N3OP and a molecular weight of 221.20 g/mol. Its IUPAC name is [5-(3-methyl-5-phosphanylphenyl)-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(3-methyl-5-phosphanylphenyl)-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID143470907
Molecular FormulaC10H12N3OP
Molecular Weight221.20 g/mol
Exact Mass221.07
IUPAC Name[5-(3-methyl-5-phosphanylphenyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESCc1cc(P)cc(-c2nnc(CN)o2)c1
InChIInChI=1S/C10H12N3OP/c1-6-2-7(4-8(15)3-6)10-13-12-9(5-11)14-10/h2-4H,5,11,15H2,1H3
InChIKeyRNAPRYRIPBVSKV-UHFFFAOYSA-N
XLogP1.00
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.20
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromopropyl)-5-(3,5-dimethylphenyl)-1,3,4-oxadiazole
CID 86073522
[5-(2,4,5-trimethylphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 82471864
[5-(3-methyl-4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 62071105
4-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 54929386
2-[1-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]triazol-4-yl]ethanamine
CID 116641747
[5-(3-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 62339836
[5-(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 82129884
[5-(1,3-dihydro-2-benzofuran-5-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 63742857
[5-(2,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 55034671
2-[1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]triazol-4-yl]ethanamine
CID 116641871
[5-(3-tert-butyl-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 82133053
2-(3-chloro-5-methylphenyl)-5-iodo-1,3,4-oxadiazole
CID 114771652

Frequently Asked Questions

What is the IUPAC name of [5-(3-methyl-5-phosphanylphenyl)-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of [5-(3-methyl-5-phosphanylphenyl)-1,3,4-oxadiazol-2-yl]methanamine (CID 143470907) is [5-(3-methyl-5-phosphanylphenyl)-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for [5-(3-methyl-5-phosphanylphenyl)-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for [5-(3-methyl-5-phosphanylphenyl)-1,3,4-oxadiazol-2-yl]methanamine is Cc1cc(P)cc(-c2nnc(CN)o2)c1.
What is the InChIKey of [5-(3-methyl-5-phosphanylphenyl)-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is RNAPRYRIPBVSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N3OP/c1-6-2-7(4-8(15)3-6)10-13-12-9(5-11)14-10/h2-4H,5,11,15H2,1H3.
What are the key properties of [5-(3-methyl-5-phosphanylphenyl)-1,3,4-oxadiazol-2-yl]methanamine?
[5-(3-methyl-5-phosphanylphenyl)-1,3,4-oxadiazol-2-yl]methanamine has a molecular weight of 221.20 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methyl-5-phosphanylphenyl)-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 143470907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).