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

C8H15N3O — CID 62686290

IUPACN'-methyl-N'-[(3-methyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine
SMILESCc1cc(CN(C)CCN)on1
InChIInChI=1S/C8H15N3O/c1-7-5-8(12-10-7)6-11(2)4-3-9/h5H,3-4,6,9H2,1-2H3
InChIKeyMKOOYABIBNHUCZ-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.37
Rot. Bonds4

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

N'-methyl-N'-[(3-methyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine (PubChem CID 62686290) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is N'-methyl-N'-[(3-methyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[(3-methyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine
PubChem CID62686290
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC NameN'-methyl-N'-[(3-methyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine
SMILESCc1cc(CN(C)CCN)on1
InChIInChI=1S/C8H15N3O/c1-7-5-8(12-10-7)6-11(2)4-3-9/h5H,3-4,6,9H2,1-2H3
InChIKeyMKOOYABIBNHUCZ-UHFFFAOYSA-N
XLogP0.37
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,4-dimethyl-1-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pentane-1,3-diamine
CID 115317920
N'-methyl-N'-[(3-phenyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine
CID 62686446
N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]but-2-yn-1-amine
CID 130920640
N'-benzyl-N'-[(3-methyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine
CID 106511670
4-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]benzoic acid
CID 54885490
2-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 135099990
2-(6-chloro-1H-benzimidazol-2-yl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine
CID 171916049
2-(2H-indazol-3-yl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine
CID 29087891
1-(2-methoxyphenyl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine
CID 171130117
4-N-methyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclohexane-1,4-diamine
CID 79121827
N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 53017094
2-[4-chloro-2-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]phenoxy]acetic acid
CID 77096724

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[(3-methyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-[(3-methyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine (CID 62686290) is N'-methyl-N'-[(3-methyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-[(3-methyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-[(3-methyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine is Cc1cc(CN(C)CCN)on1.
What is the InChIKey of N'-methyl-N'-[(3-methyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine?
The InChIKey is MKOOYABIBNHUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-7-5-8(12-10-7)6-11(2)4-3-9/h5H,3-4,6,9H2,1-2H3.
What are the key properties of N'-methyl-N'-[(3-methyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine?
N'-methyl-N'-[(3-methyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine has a molecular weight of 169.23 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[(3-methyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 62686290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).