7-methyl-2-propyl-1,3-benzoxazol-5-amine

C11H14N2O — CID 82229883

IUPAC7-methyl-2-propyl-1,3-benzoxazol-5-amine
SMILESCCCc1nc2cc(N)cc(C)c2o1
InChIInChI=1S/C11H14N2O/c1-3-4-10-13-9-6-8(12)5-7(2)11(9)14-10/h5-6H,3-4,12H2,1-2H3
InChIKeySUCPZWUXEVLLGP-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.67
Rot. Bonds2

About 7-methyl-2-propyl-1,3-benzoxazol-5-amine

7-methyl-2-propyl-1,3-benzoxazol-5-amine (PubChem CID 82229883) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 7-methyl-2-propyl-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name7-methyl-2-propyl-1,3-benzoxazol-5-amine
PubChem CID82229883
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name7-methyl-2-propyl-1,3-benzoxazol-5-amine
SMILESCCCc1nc2cc(N)cc(C)c2o1
InChIInChI=1S/C11H14N2O/c1-3-4-10-13-9-6-8(12)5-7(2)11(9)14-10/h5-6H,3-4,12H2,1-2H3
InChIKeySUCPZWUXEVLLGP-UHFFFAOYSA-N
XLogP2.67
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.67
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

2-[(5-amino-7-methyl-1,3-benzoxazol-2-yl)methyl]-7-methyl-1,3-benzoxazol-5-amine
CID 91675154
2-(methoxymethyl)-7-methyl-1,3-benzoxazol-5-amine
CID 91679204
7-methyl-1,3-benzoxazole-2,5-diamine
CID 95910767
5-butyl-2-propyl-1,3-benzoxazol-7-amine
CID 94977224
2-tert-butyl-7-methyl-1,3-benzoxazol-5-amine
CID 91674944
2-(2,2-dimethylpropyl)-5-propyl-1,3-benzoxazol-7-amine
CID 82232206
2-ethyl-5,7-dimethyl-1,3-benzoxazole
CID 82229674
(5,7-dimethyl-1,3-benzoxazol-2-yl)methanamine
CID 79001891
3-(5-chloro-7-methyl-1,3-benzoxazol-2-yl)propan-1-amine
CID 82231159
5-bromo-2-butyl-1,3-benzoxazol-7-amine
CID 104728838
7-bromo-5-tert-butyl-2-propyl-1,3-benzoxazole
CID 82233973
5-chloro-2-propyl-7-(trifluoromethyl)-1,3-benzoxazole
CID 82233212

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-propyl-1,3-benzoxazol-5-amine?
The IUPAC name of 7-methyl-2-propyl-1,3-benzoxazol-5-amine (CID 82229883) is 7-methyl-2-propyl-1,3-benzoxazol-5-amine.
What is the SMILES notation for 7-methyl-2-propyl-1,3-benzoxazol-5-amine?
The canonical SMILES for 7-methyl-2-propyl-1,3-benzoxazol-5-amine is CCCc1nc2cc(N)cc(C)c2o1.
What is the InChIKey of 7-methyl-2-propyl-1,3-benzoxazol-5-amine?
The InChIKey is SUCPZWUXEVLLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-3-4-10-13-9-6-8(12)5-7(2)11(9)14-10/h5-6H,3-4,12H2,1-2H3.
What are the key properties of 7-methyl-2-propyl-1,3-benzoxazol-5-amine?
7-methyl-2-propyl-1,3-benzoxazol-5-amine has a molecular weight of 190.25 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-propyl-1,3-benzoxazol-5-amine is sourced from PubChem (CID 82229883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).