3,5-dimethyl-N-(1,3-oxazol-4-ylmethyl)-1,2-oxazol-4-amine

C9H11N3O2 — CID 130697522

IUPAC3,5-dimethyl-N-(1,3-oxazol-4-ylmethyl)-1,2-oxazol-4-amine
SMILESCc1noc(C)c1NCc1cocn1
InChIInChI=1S/C9H11N3O2/c1-6-9(7(2)14-12-6)10-3-8-4-13-5-11-8/h4-5,10H,3H2,1-2H3
InChIKeyFBUIUNDKTDGUMJ-UHFFFAOYSA-N
MW193.21 g/mol
LogP1.89
Rot. Bonds3

About 3,5-dimethyl-N-(1,3-oxazol-4-ylmethyl)-1,2-oxazol-4-amine

3,5-dimethyl-N-(1,3-oxazol-4-ylmethyl)-1,2-oxazol-4-amine (PubChem CID 130697522) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 3,5-dimethyl-N-(1,3-oxazol-4-ylmethyl)-1,2-oxazol-4-amine.

Molecular Properties

Compound Name3,5-dimethyl-N-(1,3-oxazol-4-ylmethyl)-1,2-oxazol-4-amine
PubChem CID130697522
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name3,5-dimethyl-N-(1,3-oxazol-4-ylmethyl)-1,2-oxazol-4-amine
SMILESCc1noc(C)c1NCc1cocn1
InChIInChI=1S/C9H11N3O2/c1-6-9(7(2)14-12-6)10-3-8-4-13-5-11-8/h4-5,10H,3H2,1-2H3
InChIKeyFBUIUNDKTDGUMJ-UHFFFAOYSA-N
XLogP1.89
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(1,3-oxazol-4-ylmethyl)-1,2-oxazol-4-amine?
The IUPAC name of 3,5-dimethyl-N-(1,3-oxazol-4-ylmethyl)-1,2-oxazol-4-amine (CID 130697522) is 3,5-dimethyl-N-(1,3-oxazol-4-ylmethyl)-1,2-oxazol-4-amine.
What is the SMILES notation for 3,5-dimethyl-N-(1,3-oxazol-4-ylmethyl)-1,2-oxazol-4-amine?
The canonical SMILES for 3,5-dimethyl-N-(1,3-oxazol-4-ylmethyl)-1,2-oxazol-4-amine is Cc1noc(C)c1NCc1cocn1.
What is the InChIKey of 3,5-dimethyl-N-(1,3-oxazol-4-ylmethyl)-1,2-oxazol-4-amine?
The InChIKey is FBUIUNDKTDGUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-6-9(7(2)14-12-6)10-3-8-4-13-5-11-8/h4-5,10H,3H2,1-2H3.
What are the key properties of 3,5-dimethyl-N-(1,3-oxazol-4-ylmethyl)-1,2-oxazol-4-amine?
3,5-dimethyl-N-(1,3-oxazol-4-ylmethyl)-1,2-oxazol-4-amine has a molecular weight of 193.21 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(1,3-oxazol-4-ylmethyl)-1,2-oxazol-4-amine is sourced from PubChem (CID 130697522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).