5-[(N-methylanilino)methyl]-1,2-oxazol-3-amine

C11H13N3O — CID 117038114

IUPAC5-[(N-methylanilino)methyl]-1,2-oxazol-3-amine
SMILESCN(Cc1cc(N)no1)c1ccccc1
InChIInChI=1S/C11H13N3O/c1-14(9-5-3-2-4-6-9)8-10-7-11(12)13-15-10/h2-7H,8H2,1H3,(H2,12,13)
InChIKeyCVQVGZATUMLDHY-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.89
Rot. Bonds3

About 5-[(N-methylanilino)methyl]-1,2-oxazol-3-amine

5-[(N-methylanilino)methyl]-1,2-oxazol-3-amine (PubChem CID 117038114) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 5-[(N-methylanilino)methyl]-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-[(N-methylanilino)methyl]-1,2-oxazol-3-amine
PubChem CID117038114
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name5-[(N-methylanilino)methyl]-1,2-oxazol-3-amine
SMILESCN(Cc1cc(N)no1)c1ccccc1
InChIInChI=1S/C11H13N3O/c1-14(9-5-3-2-4-6-9)8-10-7-11(12)13-15-10/h2-7H,8H2,1H3,(H2,12,13)
InChIKeyCVQVGZATUMLDHY-UHFFFAOYSA-N
XLogP1.89
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(N-methylanilino)methyl]-1,2-oxazol-3-amine?
The IUPAC name of 5-[(N-methylanilino)methyl]-1,2-oxazol-3-amine (CID 117038114) is 5-[(N-methylanilino)methyl]-1,2-oxazol-3-amine.
What is the SMILES notation for 5-[(N-methylanilino)methyl]-1,2-oxazol-3-amine?
The canonical SMILES for 5-[(N-methylanilino)methyl]-1,2-oxazol-3-amine is CN(Cc1cc(N)no1)c1ccccc1.
What is the InChIKey of 5-[(N-methylanilino)methyl]-1,2-oxazol-3-amine?
The InChIKey is CVQVGZATUMLDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-14(9-5-3-2-4-6-9)8-10-7-11(12)13-15-10/h2-7H,8H2,1H3,(H2,12,13).
What are the key properties of 5-[(N-methylanilino)methyl]-1,2-oxazol-3-amine?
5-[(N-methylanilino)methyl]-1,2-oxazol-3-amine has a molecular weight of 203.25 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(N-methylanilino)methyl]-1,2-oxazol-3-amine is sourced from PubChem (CID 117038114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).