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

C7H13N3O2 — CID 70457689

IUPACN'-[(3-methoxy-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine
SMILESCOc1cc(CNCCN)on1
InChIInChI=1S/C7H13N3O2/c1-11-7-4-6(12-10-7)5-9-3-2-8/h4,9H,2-3,5,8H2,1H3
InChIKeyGHENCHPTGJRGSL-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.27
Rot. Bonds5

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

N'-[(3-methoxy-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine (PubChem CID 70457689) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is N'-[(3-methoxy-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3-methoxy-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine
PubChem CID70457689
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC NameN'-[(3-methoxy-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine
SMILESCOc1cc(CNCCN)on1
InChIInChI=1S/C7H13N3O2/c1-11-7-4-6(12-10-7)5-9-3-2-8/h4,9H,2-3,5,8H2,1H3
InChIKeyGHENCHPTGJRGSL-UHFFFAOYSA-N
XLogP-0.27
TPSA73.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-Methoxy-ethyl)-[3-(3-piperidin-1-yl-propoxy)-isoxazol-5-ylmethyl]-amine
CID 11666530
3-[[(2S)-azetidin-2-yl]methoxy]-5-methyl-1,2-oxazole
CID 56949762
3-Methoxy-5-isoxazolemethanamine
CID 2763227
N'-[[3-(trifluoromethoxy)-1,2-oxazol-5-yl]methyl]ethane-1,2-diamine
CID 70458636
1-N'-[(5-methyl-1,2-oxazol-3-yl)oxymethyl]ethane-1,1-diamine
CID 20589476
(3-Methoxyisoxazol-5-yl)methanamine hydrochloride
CID 21292276
3-methoxy-N-methylisoxazole-5-carboxamide
CID 45099122
N-[(3-methoxy-1,2-oxazol-5-yl)methyl]formamide
CID 54379071
N-[(3-methoxy-1,2-oxazol-5-yl)methyl]acetamide
CID 59223456
N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-2-methylpropan-2-amine
CID 59539336
1-(3-butoxy-1,2-oxazol-5-yl)-N,N-dimethylmethanamine
CID 68095879
(3-Butoxy-1,2-oxazol-5-yl)methanamine
CID 69676258

Frequently Asked Questions

What is the IUPAC name of N'-[(3-methoxy-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-[(3-methoxy-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine (CID 70457689) is N'-[(3-methoxy-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[(3-methoxy-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-[(3-methoxy-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine is COc1cc(CNCCN)on1.
What is the InChIKey of N'-[(3-methoxy-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine?
The InChIKey is GHENCHPTGJRGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c1-11-7-4-6(12-10-7)5-9-3-2-8/h4,9H,2-3,5,8H2,1H3.
What are the key properties of N'-[(3-methoxy-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine?
N'-[(3-methoxy-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine has a molecular weight of 171.20 g/mol, XLogP of -0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-methoxy-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 70457689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).