1-(1,3-benzoxazol-6-yl)-N'-methylpropane-1,3-diamine

C11H15N3O — CID 116932975

IUPAC1-(1,3-benzoxazol-6-yl)-N'-methylpropane-1,3-diamine
SMILESCNCCC(N)c1ccc2ncoc2c1
InChIInChI=1S/C11H15N3O/c1-13-5-4-9(12)8-2-3-10-11(6-8)15-7-14-10/h2-3,6-7,9,13H,4-5,12H2,1H3
InChIKeyBFJKKWPFEDAWOK-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.44
Rot. Bonds4

About 1-(1,3-benzoxazol-6-yl)-N'-methylpropane-1,3-diamine

1-(1,3-benzoxazol-6-yl)-N'-methylpropane-1,3-diamine (PubChem CID 116932975) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-6-yl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(1,3-benzoxazol-6-yl)-N'-methylpropane-1,3-diamine
PubChem CID116932975
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name1-(1,3-benzoxazol-6-yl)-N'-methylpropane-1,3-diamine
SMILESCNCCC(N)c1ccc2ncoc2c1
InChIInChI=1S/C11H15N3O/c1-13-5-4-9(12)8-2-3-10-11(6-8)15-7-14-10/h2-3,6-7,9,13H,4-5,12H2,1H3
InChIKeyBFJKKWPFEDAWOK-UHFFFAOYSA-N
XLogP1.44
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(1,3-benzoxazol-6-yl)ethanol
CID 82599704
1,3-benzoxazol-6-yl(methylamino)methanethiol
CID 116954549
N'-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)butane-1,4-diamine
CID 116933909
6-propan-2-yl-1,3-benzoxazole
CID 21354846
1-amino-1-(1,3-benzoxazol-6-yl)propan-2-one
CID 116859715
1-(1,3-benzoxazol-6-yl)-N,N-dimethylbutane-1,4-diamine
CID 116905174
3-(1,3-benzoxazol-6-yl)-3-(dimethylamino)propan-1-ol
CID 116907694
2-(1,3-benzoxazol-6-yl)propan-1-ol
CID 117277502
3-[amino(1,3-benzoxazol-6-yl)methyl]cyclobutan-1-amine
CID 116937387
1-[3-(aminomethyl)phenyl]-1-(1,3-benzoxazol-6-yl)-N-methylmethanamine
CID 116952176
1-(1,3-benzoxazol-6-yl)-3-methylsulfanylpropan-1-ol
CID 116831147
1-N-(1,3-benzoxazol-6-ylmethyl)butane-1,3-diamine
CID 115199329

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-6-yl)-N'-methylpropane-1,3-diamine?
The IUPAC name of 1-(1,3-benzoxazol-6-yl)-N'-methylpropane-1,3-diamine (CID 116932975) is 1-(1,3-benzoxazol-6-yl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for 1-(1,3-benzoxazol-6-yl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for 1-(1,3-benzoxazol-6-yl)-N'-methylpropane-1,3-diamine is CNCCC(N)c1ccc2ncoc2c1.
What is the InChIKey of 1-(1,3-benzoxazol-6-yl)-N'-methylpropane-1,3-diamine?
The InChIKey is BFJKKWPFEDAWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-13-5-4-9(12)8-2-3-10-11(6-8)15-7-14-10/h2-3,6-7,9,13H,4-5,12H2,1H3.
What are the key properties of 1-(1,3-benzoxazol-6-yl)-N'-methylpropane-1,3-diamine?
1-(1,3-benzoxazol-6-yl)-N'-methylpropane-1,3-diamine has a molecular weight of 205.26 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-6-yl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 116932975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).