1-N-(1,2-benzoxazol-3-yl)-1-N-methylpropane-1,2-diamine

C11H15N3O — CID 83832884

IUPAC1-N-(1,2-benzoxazol-3-yl)-1-N-methylpropane-1,2-diamine
SMILESCC(N)CN(C)c1noc2ccccc12
InChIInChI=1S/C11H15N3O/c1-8(12)7-14(2)11-9-5-3-4-6-10(9)15-13-11/h3-6,8H,7,12H2,1-2H3
InChIKeyWCECPJWPVFDXCR-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.61
Rot. Bonds3

About 1-N-(1,2-benzoxazol-3-yl)-1-N-methylpropane-1,2-diamine

1-N-(1,2-benzoxazol-3-yl)-1-N-methylpropane-1,2-diamine (PubChem CID 83832884) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-N-(1,2-benzoxazol-3-yl)-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(1,2-benzoxazol-3-yl)-1-N-methylpropane-1,2-diamine
PubChem CID83832884
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name1-N-(1,2-benzoxazol-3-yl)-1-N-methylpropane-1,2-diamine
SMILESCC(N)CN(C)c1noc2ccccc12
InChIInChI=1S/C11H15N3O/c1-8(12)7-14(2)11-9-5-3-4-6-10(9)15-13-11/h3-6,8H,7,12H2,1-2H3
InChIKeyWCECPJWPVFDXCR-UHFFFAOYSA-N
XLogP1.61
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-methyl-1-N-(6-methyl-1,2-benzoxazol-3-yl)propane-1,2-diamine
CID 83837208
1-N-(5-fluoro-1,2-benzoxazol-3-yl)-1-N-methylpropane-1,2-diamine
CID 83839045
N-(1,2-benzoxazol-3-yl)-2-methyl-N-(2-methylpropanoyl)propanamide
CID 58951502
3-(2-methylpropyl)-1,2-benzoxazole
CID 20826787
1-N-methyl-1-N-(3-methylquinoxalin-2-yl)propane-1,2-diamine
CID 63760342
(2S)-1-N-methyl-1-N-phenylpropane-1,2-diamine
CID 22689433
1-[5-(1,2-benzoxazol-3-ylmethyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 104635155
(2S)-1-(1,2-benzoxazol-3-yloxy)-3-methylbutan-2-amine
CID 67733558
1-[2-(1,2-benzoxazol-3-yl)phenyl]ethanamine
CID 15550302
3-(1,2-benzoxazol-3-yl)-1-phenylbutan-1-amine
CID 140994751
N-[3,5-bis(trifluoromethyl)phenyl]-N-methyl-1,2-benzoxazol-3-amine
CID 170972748
1-N-(3-methoxy-2-pyridinyl)-1-N-methylpropane-1,2-diamine
CID 83831005

Frequently Asked Questions

What is the IUPAC name of 1-N-(1,2-benzoxazol-3-yl)-1-N-methylpropane-1,2-diamine?
The IUPAC name of 1-N-(1,2-benzoxazol-3-yl)-1-N-methylpropane-1,2-diamine (CID 83832884) is 1-N-(1,2-benzoxazol-3-yl)-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(1,2-benzoxazol-3-yl)-1-N-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-(1,2-benzoxazol-3-yl)-1-N-methylpropane-1,2-diamine is CC(N)CN(C)c1noc2ccccc12.
What is the InChIKey of 1-N-(1,2-benzoxazol-3-yl)-1-N-methylpropane-1,2-diamine?
The InChIKey is WCECPJWPVFDXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-8(12)7-14(2)11-9-5-3-4-6-10(9)15-13-11/h3-6,8H,7,12H2,1-2H3.
What are the key properties of 1-N-(1,2-benzoxazol-3-yl)-1-N-methylpropane-1,2-diamine?
1-N-(1,2-benzoxazol-3-yl)-1-N-methylpropane-1,2-diamine has a molecular weight of 205.26 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1,2-benzoxazol-3-yl)-1-N-methylpropane-1,2-diamine is sourced from PubChem (CID 83832884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).