N'-[(2-methyl-1,3-benzoxazol-5-yl)methyl]ethane-1,2-diamine

C11H15N3O — CID 115195341

IUPACN'-[(2-methyl-1,3-benzoxazol-5-yl)methyl]ethane-1,2-diamine
SMILESCc1nc2cc(CNCCN)ccc2o1
InChIInChI=1S/C11H15N3O/c1-8-14-10-6-9(7-13-5-4-12)2-3-11(10)15-8/h2-3,6,13H,4-5,7,12H2,1H3
InChIKeyUFNWGDPRGYFWFE-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.18
Rot. Bonds4

About N'-[(2-methyl-1,3-benzoxazol-5-yl)methyl]ethane-1,2-diamine

N'-[(2-methyl-1,3-benzoxazol-5-yl)methyl]ethane-1,2-diamine (PubChem CID 115195341) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is N'-[(2-methyl-1,3-benzoxazol-5-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2-methyl-1,3-benzoxazol-5-yl)methyl]ethane-1,2-diamine
PubChem CID115195341
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC NameN'-[(2-methyl-1,3-benzoxazol-5-yl)methyl]ethane-1,2-diamine
SMILESCc1nc2cc(CNCCN)ccc2o1
InChIInChI=1S/C11H15N3O/c1-8-14-10-6-9(7-13-5-4-12)2-3-11(10)15-8/h2-3,6,13H,4-5,7,12H2,1H3
InChIKeyUFNWGDPRGYFWFE-UHFFFAOYSA-N
XLogP1.18
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 ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-methyl-1,3-benzoxazol-5-yl)methylamino]ethanethiol
CID 115224002
3-methyl-1-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]butane-1,3-diamine
CID 115200643
2,2-dimethyl-N'-[(2-methyl-1,3-benzoxazol-5-yl)methyl]butane-1,4-diamine
CID 115204917
3-[(2-methyl-1,3-benzoxazol-5-yl)methylamino]propanenitrile
CID 115230914
2-methyl-1-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]propane-1,2-diamine
CID 115135941
methyl 2-[(2-methyl-1,3-benzoxazol-5-yl)methylamino]acetate
CID 115232907
1-[[(2-methyl-1,3-benzoxazol-5-yl)methylamino]methyl]cyclopropane-1-carboxylic acid
CID 115242952
N'-(2-methyl-1,3-benzoxazol-5-yl)butane-1,4-diamine
CID 115201041
3-methyl-4-[(2-methyl-1,3-benzoxazol-5-yl)methylamino]butanoic acid
CID 115219951
2-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)methylamino]propan-1-ol
CID 115133411
4-[(2-methyl-1,3-benzoxazol-6-yl)methylamino]butanoic acid
CID 115218629
N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]-1-piperidin-3-ylmethanamine
CID 115209662

Frequently Asked Questions

What is the IUPAC name of N'-[(2-methyl-1,3-benzoxazol-5-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-[(2-methyl-1,3-benzoxazol-5-yl)methyl]ethane-1,2-diamine (CID 115195341) is N'-[(2-methyl-1,3-benzoxazol-5-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[(2-methyl-1,3-benzoxazol-5-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-[(2-methyl-1,3-benzoxazol-5-yl)methyl]ethane-1,2-diamine is Cc1nc2cc(CNCCN)ccc2o1.
What is the InChIKey of N'-[(2-methyl-1,3-benzoxazol-5-yl)methyl]ethane-1,2-diamine?
The InChIKey is UFNWGDPRGYFWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-8-14-10-6-9(7-13-5-4-12)2-3-11(10)15-8/h2-3,6,13H,4-5,7,12H2,1H3.
What are the key properties of N'-[(2-methyl-1,3-benzoxazol-5-yl)methyl]ethane-1,2-diamine?
N'-[(2-methyl-1,3-benzoxazol-5-yl)methyl]ethane-1,2-diamine has a molecular weight of 205.26 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-methyl-1,3-benzoxazol-5-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 115195341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).