5-chloro-2-propan-2-yl-1,3-benzoxazol-6-amine

C10H11ClN2O — CID 115539699

IUPAC5-chloro-2-propan-2-yl-1,3-benzoxazol-6-amine
SMILESCC(C)c1nc2cc(Cl)c(N)cc2o1
InChIInChI=1S/C10H11ClN2O/c1-5(2)10-13-8-3-6(11)7(12)4-9(8)14-10/h3-5H,12H2,1-2H3
InChIKeyDJUBCMUKMGJYET-UHFFFAOYSA-N
MW210.66 g/mol
LogP3.19
Rot. Bonds1

About 5-chloro-2-propan-2-yl-1,3-benzoxazol-6-amine

5-chloro-2-propan-2-yl-1,3-benzoxazol-6-amine (PubChem CID 115539699) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is 5-chloro-2-propan-2-yl-1,3-benzoxazol-6-amine.

Molecular Properties

Compound Name5-chloro-2-propan-2-yl-1,3-benzoxazol-6-amine
PubChem CID115539699
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name5-chloro-2-propan-2-yl-1,3-benzoxazol-6-amine
SMILESCC(C)c1nc2cc(Cl)c(N)cc2o1
InChIInChI=1S/C10H11ClN2O/c1-5(2)10-13-8-3-6(11)7(12)4-9(8)14-10/h3-5H,12H2,1-2H3
InChIKeyDJUBCMUKMGJYET-UHFFFAOYSA-N
XLogP3.19
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-propan-2-yl-1,3-benzoxazol-6-amine?
The IUPAC name of 5-chloro-2-propan-2-yl-1,3-benzoxazol-6-amine (CID 115539699) is 5-chloro-2-propan-2-yl-1,3-benzoxazol-6-amine.
What is the SMILES notation for 5-chloro-2-propan-2-yl-1,3-benzoxazol-6-amine?
The canonical SMILES for 5-chloro-2-propan-2-yl-1,3-benzoxazol-6-amine is CC(C)c1nc2cc(Cl)c(N)cc2o1.
What is the InChIKey of 5-chloro-2-propan-2-yl-1,3-benzoxazol-6-amine?
The InChIKey is DJUBCMUKMGJYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O/c1-5(2)10-13-8-3-6(11)7(12)4-9(8)14-10/h3-5H,12H2,1-2H3.
What are the key properties of 5-chloro-2-propan-2-yl-1,3-benzoxazol-6-amine?
5-chloro-2-propan-2-yl-1,3-benzoxazol-6-amine has a molecular weight of 210.66 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-propan-2-yl-1,3-benzoxazol-6-amine is sourced from PubChem (CID 115539699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).