N-chloro-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine

C4H6ClN3O — CID 165372391

IUPACN-chloro-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine
SMILESCc1noc(CNCl)n1
InChIInChI=1S/C4H6ClN3O/c1-3-7-4(2-6-5)9-8-3/h6H,2H2,1H3
InChIKeyTVXPIOXLILIDGW-UHFFFAOYSA-N
MW147.56 g/mol
LogP0.62
Rot. Bonds2

About N-chloro-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine

N-chloro-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine (PubChem CID 165372391) has the molecular formula C4H6ClN3O and a molecular weight of 147.56 g/mol. Its IUPAC name is N-chloro-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine.

Molecular Properties

Compound NameN-chloro-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine
PubChem CID165372391
Molecular FormulaC4H6ClN3O
Molecular Weight147.56 g/mol
Exact Mass147.02
IUPAC NameN-chloro-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine
SMILESCc1noc(CNCl)n1
InChIInChI=1S/C4H6ClN3O/c1-3-7-4(2-6-5)9-8-3/h6H,2H2,1H3
InChIKeyTVXPIOXLILIDGW-UHFFFAOYSA-N
XLogP0.62
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.56
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiohydroxylamine
CID 155238388
2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 59777410
N-methoxy-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine
CID 82594465
4-chloro-6-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,5-triazin-2-amine
CID 62859664
methyl N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamate
CID 115612439
2-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propane-1,2-diamine
CID 103389384
2-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]guanidine
CID 62358635
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiohydroxylamine
CID 155439756
1-(5-chlorothiophen-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 61014211
2-ethylsulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 61013517
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]oxan-4-amine
CID 61014456
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]butan-2-ol
CID 61014735

Frequently Asked Questions

What is the IUPAC name of N-chloro-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine?
The IUPAC name of N-chloro-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine (CID 165372391) is N-chloro-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine.
What is the SMILES notation for N-chloro-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine?
The canonical SMILES for N-chloro-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine is Cc1noc(CNCl)n1.
What is the InChIKey of N-chloro-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine?
The InChIKey is TVXPIOXLILIDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6ClN3O/c1-3-7-4(2-6-5)9-8-3/h6H,2H2,1H3.
What are the key properties of N-chloro-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine?
N-chloro-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine has a molecular weight of 147.56 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine is sourced from PubChem (CID 165372391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).