N-iodo-N-methyl-1,3-benzoxazol-2-amine

C8H7IN2O — CID 142874451

IUPACN-iodo-N-methyl-1,3-benzoxazol-2-amine
SMILESCN(I)c1nc2ccccc2o1
InChIInChI=1S/C8H7IN2O/c1-11(9)8-10-6-4-2-3-5-7(6)12-8/h2-5H,1H3
InChIKeyVVMFYKGXBYVQSL-UHFFFAOYSA-N
MW274.06 g/mol
LogP2.61
Rot. Bonds1

About N-iodo-N-methyl-1,3-benzoxazol-2-amine

N-iodo-N-methyl-1,3-benzoxazol-2-amine (PubChem CID 142874451) has the molecular formula C8H7IN2O and a molecular weight of 274.06 g/mol. Its IUPAC name is N-iodo-N-methyl-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-iodo-N-methyl-1,3-benzoxazol-2-amine
PubChem CID142874451
Molecular FormulaC8H7IN2O
Molecular Weight274.06 g/mol
Exact Mass273.96
IUPAC NameN-iodo-N-methyl-1,3-benzoxazol-2-amine
SMILESCN(I)c1nc2ccccc2o1
InChIInChI=1S/C8H7IN2O/c1-11(9)8-10-6-4-2-3-5-7(6)12-8/h2-5H,1H3
InChIKeyVVMFYKGXBYVQSL-UHFFFAOYSA-N
XLogP2.61
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.06
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-diphenyl-1,3-benzoxazol-2-amine
CID 101462195
4-[2-[1,3-benzoxazol-2-yl(methyl)amino]propyl]phenol
CID 71853717
N-(2-bromoethyl)-N-ethyl-1,3-benzoxazol-2-amine
CID 80672616
N,N-bis(prop-2-enyl)-1,3-benzoxazol-2-amine
CID 44603809
N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1,3-benzoxazol-2-amine
CID 121020808
N-(3-methylbutyl)-N-phenyl-1,3-benzoxazol-2-amine
CID 57475909
2-methyl-1,3-benzoxazole;hydroiodide
CID 173239449
1,3-benzoxazol-2-yl(trimethyl)silane
CID 12934592
3-[1,3-benzoxazol-2-yl(methyl)amino]-N'-hydroxybutanimidamide
CID 63223801
1-[1,3-benzoxazol-2-yl(methyl)amino]-3-methoxypropan-2-ol
CID 54979252
(2S)-2-[1,3-benzoxazol-2-yl(methyl)amino]-N-tert-butylpropanamide
CID 99787469
N'-(1,3-benzoxazol-2-yl)-N'-ethylpropane-1,3-diamine
CID 61034495

Frequently Asked Questions

What is the IUPAC name of N-iodo-N-methyl-1,3-benzoxazol-2-amine?
The IUPAC name of N-iodo-N-methyl-1,3-benzoxazol-2-amine (CID 142874451) is N-iodo-N-methyl-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-iodo-N-methyl-1,3-benzoxazol-2-amine?
The canonical SMILES for N-iodo-N-methyl-1,3-benzoxazol-2-amine is CN(I)c1nc2ccccc2o1.
What is the InChIKey of N-iodo-N-methyl-1,3-benzoxazol-2-amine?
The InChIKey is VVMFYKGXBYVQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7IN2O/c1-11(9)8-10-6-4-2-3-5-7(6)12-8/h2-5H,1H3.
What are the key properties of N-iodo-N-methyl-1,3-benzoxazol-2-amine?
N-iodo-N-methyl-1,3-benzoxazol-2-amine has a molecular weight of 274.06 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-N-methyl-1,3-benzoxazol-2-amine is sourced from PubChem (CID 142874451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).