(3-methyl-1,2,4-oxadiazol-5-yl)phosphane

C3H5N2OP — CID 135269813

IUPAC(3-methyl-1,2,4-oxadiazol-5-yl)phosphane
SMILESCc1noc(P)n1
InChIInChI=1S/C3H5N2OP/c1-2-4-3(7)6-5-2/h7H2,1H3
InChIKeyCRSGZQXGSFMBDY-UHFFFAOYSA-N
MW116.06 g/mol
LogP-0.12
Rot. Bonds

About (3-methyl-1,2,4-oxadiazol-5-yl)phosphane

(3-methyl-1,2,4-oxadiazol-5-yl)phosphane (PubChem CID 135269813) has the molecular formula C3H5N2OP and a molecular weight of 116.06 g/mol. Its IUPAC name is (3-methyl-1,2,4-oxadiazol-5-yl)phosphane.

Molecular Properties

Compound Name(3-methyl-1,2,4-oxadiazol-5-yl)phosphane
PubChem CID135269813
Molecular FormulaC3H5N2OP
Molecular Weight116.06 g/mol
Exact Mass116.01
IUPAC Name(3-methyl-1,2,4-oxadiazol-5-yl)phosphane
SMILESCc1noc(P)n1
InChIInChI=1S/C3H5N2OP/c1-2-4-3(7)6-5-2/h7H2,1H3
InChIKeyCRSGZQXGSFMBDY-UHFFFAOYSA-N
XLogP-0.12
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.06
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethyl-1,2,4-oxadiazole;ethane;hydroiodide
CID 143084717
2-ethyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 115430512
N-ethyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 62819214
3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 130520344
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiohydroxylamine
CID 155238388
5-[(E)-but-2-en-2-yl]-3-methyl-1,2,4-oxadiazole
CID 89033738
iodomethane;3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)butan-2-one
CID 160916070
1-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]propan-2-one
CID 130671415
4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-one
CID 63346585
N-chloro-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine
CID 165372391
2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]ethanol
CID 106416605
5-[2-(2-methoxyphenyl)ethenyl]-3-methyl-1,2,4-oxadiazole
CID 4278176

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2,4-oxadiazol-5-yl)phosphane?
The IUPAC name of (3-methyl-1,2,4-oxadiazol-5-yl)phosphane (CID 135269813) is (3-methyl-1,2,4-oxadiazol-5-yl)phosphane.
What is the SMILES notation for (3-methyl-1,2,4-oxadiazol-5-yl)phosphane?
The canonical SMILES for (3-methyl-1,2,4-oxadiazol-5-yl)phosphane is Cc1noc(P)n1.
What is the InChIKey of (3-methyl-1,2,4-oxadiazol-5-yl)phosphane?
The InChIKey is CRSGZQXGSFMBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N2OP/c1-2-4-3(7)6-5-2/h7H2,1H3.
What are the key properties of (3-methyl-1,2,4-oxadiazol-5-yl)phosphane?
(3-methyl-1,2,4-oxadiazol-5-yl)phosphane has a molecular weight of 116.06 g/mol, XLogP of -0.12, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2,4-oxadiazol-5-yl)phosphane is sourced from PubChem (CID 135269813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).