(3,5-dimethyl-1,2-oxazol-4-yl)methylcyanamide

C7H9N3O — CID 79242568

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)methylcyanamide
SMILESCc1noc(C)c1CNC#N
InChIInChI=1S/C7H9N3O/c1-5-7(3-9-4-8)6(2)11-10-5/h9H,3H2,1-2H3
InChIKeyGMAMAJNFGWODKM-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.86
Rot. Bonds2

About (3,5-dimethyl-1,2-oxazol-4-yl)methylcyanamide

(3,5-dimethyl-1,2-oxazol-4-yl)methylcyanamide (PubChem CID 79242568) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)methylcyanamide.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)methylcyanamide
PubChem CID79242568
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)methylcyanamide
SMILESCc1noc(C)c1CNC#N
InChIInChI=1S/C7H9N3O/c1-5-7(3-9-4-8)6(2)11-10-5/h9H,3H2,1-2H3
InChIKeyGMAMAJNFGWODKM-UHFFFAOYSA-N
XLogP0.86
TPSA61.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine
CID 28780717
5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4,4-dimethylpentanenitrile
CID 113240748
N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine
CID 60887968
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethanol
CID 28833064
5-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]thiophene-2-carbonitrile
CID 115675721
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-5-methylbenzonitrile
CID 107927620
2-cyano-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pentanamide
CID 79236197
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]acetonitrile
CID 82143610
(3,5-dimethyl-1,2-oxazol-4-yl)methanethiol
CID 2507881
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(methylsulfonimidoyl)methanamine
CID 164644358
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methoxyethanamine
CID 28780758
4,6-dichloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3,5-triazin-2-amine
CID 79237881

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methylcyanamide?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methylcyanamide (CID 79242568) is (3,5-dimethyl-1,2-oxazol-4-yl)methylcyanamide.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)methylcyanamide?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)methylcyanamide is Cc1noc(C)c1CNC#N.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)methylcyanamide?
The InChIKey is GMAMAJNFGWODKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c1-5-7(3-9-4-8)6(2)11-10-5/h9H,3H2,1-2H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)methylcyanamide?
(3,5-dimethyl-1,2-oxazol-4-yl)methylcyanamide has a molecular weight of 151.17 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)methylcyanamide is sourced from PubChem (CID 79242568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).