7-tert-butyl-2-cyclopropyl-1,3-benzoxazol-5-amine

C14H18N2O — CID 82231334

IUPAC7-tert-butyl-2-cyclopropyl-1,3-benzoxazol-5-amine
SMILESCC(C)(C)c1cc(N)cc2nc(C3CC3)oc12
InChIInChI=1S/C14H18N2O/c1-14(2,3)10-6-9(15)7-11-12(10)17-13(16-11)8-4-5-8/h6-8H,4-5,15H2,1-3H3
InChIKeyPAVVNJUOYBFTJO-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.58
Rot. Bonds1

About 7-tert-butyl-2-cyclopropyl-1,3-benzoxazol-5-amine

7-tert-butyl-2-cyclopropyl-1,3-benzoxazol-5-amine (PubChem CID 82231334) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 7-tert-butyl-2-cyclopropyl-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name7-tert-butyl-2-cyclopropyl-1,3-benzoxazol-5-amine
PubChem CID82231334
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name7-tert-butyl-2-cyclopropyl-1,3-benzoxazol-5-amine
SMILESCC(C)(C)c1cc(N)cc2nc(C3CC3)oc12
InChIInChI=1S/C14H18N2O/c1-14(2,3)10-6-9(15)7-11-12(10)17-13(16-11)8-4-5-8/h6-8H,4-5,15H2,1-3H3
InChIKeyPAVVNJUOYBFTJO-UHFFFAOYSA-N
XLogP3.58
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-tert-butyl-2-cyclohexyl-1,3-benzoxazol-5-amine
CID 94979355
5-bromo-7-tert-butyl-2-cyclopropyl-1,3-benzoxazole
CID 82233932
5,7-ditert-butyl-2-cyclopropyl-1,3-benzoxazole;3,5-ditert-butylphenol
CID 159813342
7-tert-butyl-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 82231467
2-cyclopentyl-7-ethyl-1,3-benzoxazol-5-amine
CID 82231333
1-(7-amino-2-cyclopropyl-1,3-benzoxazol-5-yl)ethanone
CID 82230704
2-cyclopropyl-5,7-difluoro-1,3-benzoxazole
CID 82230076
5-chloro-2-cyclopentyl-1,3-benzoxazol-7-amine
CID 82231734
2-cyclohexyl-1,3-benzoxazol-5-amine
CID 770201
2-tert-butyl-7-methyl-1,3-benzoxazol-5-amine
CID 91674944
1-(5-bromo-2-cyclopropyl-1,3-benzoxazol-7-yl)ethanone
CID 82233643
2-cyclobutyl-1,3-benzoxazol-6-amine
CID 43117903

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-2-cyclopropyl-1,3-benzoxazol-5-amine?
The IUPAC name of 7-tert-butyl-2-cyclopropyl-1,3-benzoxazol-5-amine (CID 82231334) is 7-tert-butyl-2-cyclopropyl-1,3-benzoxazol-5-amine.
What is the SMILES notation for 7-tert-butyl-2-cyclopropyl-1,3-benzoxazol-5-amine?
The canonical SMILES for 7-tert-butyl-2-cyclopropyl-1,3-benzoxazol-5-amine is CC(C)(C)c1cc(N)cc2nc(C3CC3)oc12.
What is the InChIKey of 7-tert-butyl-2-cyclopropyl-1,3-benzoxazol-5-amine?
The InChIKey is PAVVNJUOYBFTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-14(2,3)10-6-9(15)7-11-12(10)17-13(16-11)8-4-5-8/h6-8H,4-5,15H2,1-3H3.
What are the key properties of 7-tert-butyl-2-cyclopropyl-1,3-benzoxazol-5-amine?
7-tert-butyl-2-cyclopropyl-1,3-benzoxazol-5-amine has a molecular weight of 230.31 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-2-cyclopropyl-1,3-benzoxazol-5-amine is sourced from PubChem (CID 82231334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).