4-iodo-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline

C10H10IN3O — CID 103604764

IUPAC4-iodo-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
SMILESCc1nnc(CNc2ccc(I)cc2)o1
InChIInChI=1S/C10H10IN3O/c1-7-13-14-10(15-7)6-12-9-4-2-8(11)3-5-9/h2-5,12H,6H2,1H3
InChIKeyIOHYFEQCDOCOSR-UHFFFAOYSA-N
MW315.11 g/mol
LogP2.59
Rot. Bonds3

About 4-iodo-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline

4-iodo-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline (PubChem CID 103604764) has the molecular formula C10H10IN3O and a molecular weight of 315.11 g/mol. Its IUPAC name is 4-iodo-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name4-iodo-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
PubChem CID103604764
Molecular FormulaC10H10IN3O
Molecular Weight315.11 g/mol
Exact Mass314.99
IUPAC Name4-iodo-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
SMILESCc1nnc(CNc2ccc(I)cc2)o1
InChIInChI=1S/C10H10IN3O/c1-7-13-14-10(15-7)6-12-9-4-2-8(11)3-5-9/h2-5,12H,6H2,1H3
InChIKeyIOHYFEQCDOCOSR-UHFFFAOYSA-N
XLogP2.59
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.11
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-iodo-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 143900206
4-chloro-3-fluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 107914486
3,4,5-trifluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 114015357
4-fluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(trifluoromethyl)aniline
CID 107914458
2-chloro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]benzonitrile
CID 114015314
3,5-dichloro-4-fluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 107914951
2,6-difluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 110651655
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4-iodoaniline
CID 43524796
3-bromo-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethoxy)aniline
CID 107914944
2,3,4,5,6-pentafluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 107914791
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylsulfanylaniline
CID 103604907
3-bromo-5-methoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 114015385

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline?
The IUPAC name of 4-iodo-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline (CID 103604764) is 4-iodo-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline.
What is the SMILES notation for 4-iodo-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline?
The canonical SMILES for 4-iodo-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline is Cc1nnc(CNc2ccc(I)cc2)o1.
What is the InChIKey of 4-iodo-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline?
The InChIKey is IOHYFEQCDOCOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10IN3O/c1-7-13-14-10(15-7)6-12-9-4-2-8(11)3-5-9/h2-5,12H,6H2,1H3.
What are the key properties of 4-iodo-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline?
4-iodo-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline has a molecular weight of 315.11 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline is sourced from PubChem (CID 103604764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).