5-chloro-2-(5-methylfuran-3-yl)-1,3-benzoxazol-6-amine

C12H9ClN2O2 — CID 114820837

IUPAC5-chloro-2-(5-methylfuran-3-yl)-1,3-benzoxazol-6-amine
SMILESCc1cc(-c2nc3cc(Cl)c(N)cc3o2)co1
InChIInChI=1S/C12H9ClN2O2/c1-6-2-7(5-16-6)12-15-10-3-8(13)9(14)4-11(10)17-12/h2-5H,14H2,1H3
InChIKeyRNNMHXQBZVGMFO-UHFFFAOYSA-N
MW248.67 g/mol
LogP3.63
Rot. Bonds1

About 5-chloro-2-(5-methylfuran-3-yl)-1,3-benzoxazol-6-amine

5-chloro-2-(5-methylfuran-3-yl)-1,3-benzoxazol-6-amine (PubChem CID 114820837) has the molecular formula C12H9ClN2O2 and a molecular weight of 248.67 g/mol. Its IUPAC name is 5-chloro-2-(5-methylfuran-3-yl)-1,3-benzoxazol-6-amine.

Molecular Properties

Compound Name5-chloro-2-(5-methylfuran-3-yl)-1,3-benzoxazol-6-amine
PubChem CID114820837
Molecular FormulaC12H9ClN2O2
Molecular Weight248.67 g/mol
Exact Mass248.04
IUPAC Name5-chloro-2-(5-methylfuran-3-yl)-1,3-benzoxazol-6-amine
SMILESCc1cc(-c2nc3cc(Cl)c(N)cc3o2)co1
InChIInChI=1S/C12H9ClN2O2/c1-6-2-7(5-16-6)12-15-10-3-8(13)9(14)4-11(10)17-12/h2-5H,14H2,1H3
InChIKeyRNNMHXQBZVGMFO-UHFFFAOYSA-N
XLogP3.63
TPSA65.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-(5-methyl-1,2-oxazol-3-yl)-1,3-benzoxazol-6-amine
CID 113331623
5-chloro-2-(3-chlorophenyl)-1,3-benzoxazol-6-amine
CID 115539701
2-(3-bromo-5-chlorophenyl)-5-chloro-1,3-benzoxazol-6-amine
CID 107939135
5-chloro-2-(3-chloro-4-iodophenyl)-1,3-benzoxazol-6-amine
CID 103220838
5-chloro-2-(3-iodophenyl)-1,3-benzoxazol-6-amine
CID 113331594
5-chloro-2-(3-chloro-2-methylphenyl)-1,3-benzoxazol-6-amine
CID 107096884
4-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)-2-methylaniline
CID 82720762
5-chloro-2-propan-2-yl-1,3-benzoxazol-6-amine
CID 115539699
2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)aniline
CID 735973
5-chloro-2-(2,2-dimethylpropyl)-1,3-benzoxazol-6-amine
CID 115539596
5-methyl-2-phenyl-1,3-benzoxazol-6-amine
CID 155036238
2-chloro-4-(5-methoxy-1,3-benzoxazol-2-yl)aniline
CID 50874432

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(5-methylfuran-3-yl)-1,3-benzoxazol-6-amine?
The IUPAC name of 5-chloro-2-(5-methylfuran-3-yl)-1,3-benzoxazol-6-amine (CID 114820837) is 5-chloro-2-(5-methylfuran-3-yl)-1,3-benzoxazol-6-amine.
What is the SMILES notation for 5-chloro-2-(5-methylfuran-3-yl)-1,3-benzoxazol-6-amine?
The canonical SMILES for 5-chloro-2-(5-methylfuran-3-yl)-1,3-benzoxazol-6-amine is Cc1cc(-c2nc3cc(Cl)c(N)cc3o2)co1.
What is the InChIKey of 5-chloro-2-(5-methylfuran-3-yl)-1,3-benzoxazol-6-amine?
The InChIKey is RNNMHXQBZVGMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O2/c1-6-2-7(5-16-6)12-15-10-3-8(13)9(14)4-11(10)17-12/h2-5H,14H2,1H3.
What are the key properties of 5-chloro-2-(5-methylfuran-3-yl)-1,3-benzoxazol-6-amine?
5-chloro-2-(5-methylfuran-3-yl)-1,3-benzoxazol-6-amine has a molecular weight of 248.67 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(5-methylfuran-3-yl)-1,3-benzoxazol-6-amine is sourced from PubChem (CID 114820837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).