7-methyl-2-(4-propan-2-yloxyphenyl)-1,3-benzoxazol-5-amine

C17H18N2O2 — CID 71677321

IUPAC7-methyl-2-(4-propan-2-yloxyphenyl)-1,3-benzoxazol-5-amine
SMILESCc1cc(N)cc2nc(-c3ccc(OC(C)C)cc3)oc12
InChIInChI=1S/C17H18N2O2/c1-10(2)20-14-6-4-12(5-7-14)17-19-15-9-13(18)8-11(3)16(15)21-17/h4-10H,18H2,1-3H3
InChIKeySFLPTBGDXWESFZ-UHFFFAOYSA-N
MW282.34 g/mol
LogP4.17
Rot. Bonds3

About 7-methyl-2-(4-propan-2-yloxyphenyl)-1,3-benzoxazol-5-amine

7-methyl-2-(4-propan-2-yloxyphenyl)-1,3-benzoxazol-5-amine (PubChem CID 71677321) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 7-methyl-2-(4-propan-2-yloxyphenyl)-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name7-methyl-2-(4-propan-2-yloxyphenyl)-1,3-benzoxazol-5-amine
PubChem CID71677321
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name7-methyl-2-(4-propan-2-yloxyphenyl)-1,3-benzoxazol-5-amine
SMILESCc1cc(N)cc2nc(-c3ccc(OC(C)C)cc3)oc12
InChIInChI=1S/C17H18N2O2/c1-10(2)20-14-6-4-12(5-7-14)17-19-15-9-13(18)8-11(3)16(15)21-17/h4-10H,18H2,1-3H3
InChIKeySFLPTBGDXWESFZ-UHFFFAOYSA-N
XLogP4.17
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(4-propan-2-yloxyphenyl)-1,3-benzoxazol-5-amine?
The IUPAC name of 7-methyl-2-(4-propan-2-yloxyphenyl)-1,3-benzoxazol-5-amine (CID 71677321) is 7-methyl-2-(4-propan-2-yloxyphenyl)-1,3-benzoxazol-5-amine.
What is the SMILES notation for 7-methyl-2-(4-propan-2-yloxyphenyl)-1,3-benzoxazol-5-amine?
The canonical SMILES for 7-methyl-2-(4-propan-2-yloxyphenyl)-1,3-benzoxazol-5-amine is Cc1cc(N)cc2nc(-c3ccc(OC(C)C)cc3)oc12.
What is the InChIKey of 7-methyl-2-(4-propan-2-yloxyphenyl)-1,3-benzoxazol-5-amine?
The InChIKey is SFLPTBGDXWESFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-10(2)20-14-6-4-12(5-7-14)17-19-15-9-13(18)8-11(3)16(15)21-17/h4-10H,18H2,1-3H3.
What are the key properties of 7-methyl-2-(4-propan-2-yloxyphenyl)-1,3-benzoxazol-5-amine?
7-methyl-2-(4-propan-2-yloxyphenyl)-1,3-benzoxazol-5-amine has a molecular weight of 282.34 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(4-propan-2-yloxyphenyl)-1,3-benzoxazol-5-amine is sourced from PubChem (CID 71677321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).