4-(5-ethyl-1H-imidazol-2-yl)-N-methyl-1,3-oxazol-2-amine

C9H12N4O — CID 122695703

IUPAC4-(5-ethyl-1H-imidazol-2-yl)-N-methyl-1,3-oxazol-2-amine
SMILESCCc1cnc(-c2coc(NC)n2)[nH]1
InChIInChI=1S/C9H12N4O/c1-3-6-4-11-8(12-6)7-5-14-9(10-2)13-7/h4-5H,3H2,1-2H3,(H,10,13)(H,11,12)
InChIKeyZAJPEVOHBKVBJY-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.67
Rot. Bonds3

About 4-(5-ethyl-1H-imidazol-2-yl)-N-methyl-1,3-oxazol-2-amine

4-(5-ethyl-1H-imidazol-2-yl)-N-methyl-1,3-oxazol-2-amine (PubChem CID 122695703) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 4-(5-ethyl-1H-imidazol-2-yl)-N-methyl-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-(5-ethyl-1H-imidazol-2-yl)-N-methyl-1,3-oxazol-2-amine
PubChem CID122695703
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name4-(5-ethyl-1H-imidazol-2-yl)-N-methyl-1,3-oxazol-2-amine
SMILESCCc1cnc(-c2coc(NC)n2)[nH]1
InChIInChI=1S/C9H12N4O/c1-3-6-4-11-8(12-6)7-5-14-9(10-2)13-7/h4-5H,3H2,1-2H3,(H,10,13)(H,11,12)
InChIKeyZAJPEVOHBKVBJY-UHFFFAOYSA-N
XLogP1.67
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-1H-imidazol-2-yl)-N-methyl-1,3-oxazol-2-amine?
The IUPAC name of 4-(5-ethyl-1H-imidazol-2-yl)-N-methyl-1,3-oxazol-2-amine (CID 122695703) is 4-(5-ethyl-1H-imidazol-2-yl)-N-methyl-1,3-oxazol-2-amine.
What is the SMILES notation for 4-(5-ethyl-1H-imidazol-2-yl)-N-methyl-1,3-oxazol-2-amine?
The canonical SMILES for 4-(5-ethyl-1H-imidazol-2-yl)-N-methyl-1,3-oxazol-2-amine is CCc1cnc(-c2coc(NC)n2)[nH]1.
What is the InChIKey of 4-(5-ethyl-1H-imidazol-2-yl)-N-methyl-1,3-oxazol-2-amine?
The InChIKey is ZAJPEVOHBKVBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-3-6-4-11-8(12-6)7-5-14-9(10-2)13-7/h4-5H,3H2,1-2H3,(H,10,13)(H,11,12).
What are the key properties of 4-(5-ethyl-1H-imidazol-2-yl)-N-methyl-1,3-oxazol-2-amine?
4-(5-ethyl-1H-imidazol-2-yl)-N-methyl-1,3-oxazol-2-amine has a molecular weight of 192.22 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-1H-imidazol-2-yl)-N-methyl-1,3-oxazol-2-amine is sourced from PubChem (CID 122695703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).