1-N,4-dimethyl-1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,3-diamine

C13H17N3O — CID 62911287

IUPAC1-N,4-dimethyl-1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,3-diamine
SMILESCc1cc(CN(C)c2ccc(C)c(N)c2)no1
InChIInChI=1S/C13H17N3O/c1-9-4-5-12(7-13(9)14)16(3)8-11-6-10(2)17-15-11/h4-7H,8,14H2,1-3H3
InChIKeyYNXCMNFNZYIVOI-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.51
Rot. Bonds3

About 1-N,4-dimethyl-1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,3-diamine

1-N,4-dimethyl-1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,3-diamine (PubChem CID 62911287) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-N,4-dimethyl-1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,3-diamine.

Molecular Properties

Compound Name1-N,4-dimethyl-1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,3-diamine
PubChem CID62911287
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-N,4-dimethyl-1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,3-diamine
SMILESCc1cc(CN(C)c2ccc(C)c(N)c2)no1
InChIInChI=1S/C13H17N3O/c1-9-4-5-12(7-13(9)14)16(3)8-11-6-10(2)17-15-11/h4-7H,8,14H2,1-3H3
InChIKeyYNXCMNFNZYIVOI-UHFFFAOYSA-N
XLogP2.51
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N,4-dimethyl-1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,3-diamine?
The IUPAC name of 1-N,4-dimethyl-1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,3-diamine (CID 62911287) is 1-N,4-dimethyl-1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,3-diamine.
What is the SMILES notation for 1-N,4-dimethyl-1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,3-diamine?
The canonical SMILES for 1-N,4-dimethyl-1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,3-diamine is Cc1cc(CN(C)c2ccc(C)c(N)c2)no1.
What is the InChIKey of 1-N,4-dimethyl-1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,3-diamine?
The InChIKey is YNXCMNFNZYIVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9-4-5-12(7-13(9)14)16(3)8-11-6-10(2)17-15-11/h4-7H,8,14H2,1-3H3.
What are the key properties of 1-N,4-dimethyl-1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,3-diamine?
1-N,4-dimethyl-1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,3-diamine has a molecular weight of 231.30 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-dimethyl-1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,3-diamine is sourced from PubChem (CID 62911287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).