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

C7H9N3O — CID 106371953

IUPAC(4,5-dimethyl-1,3-oxazol-2-yl)methylcyanamide
SMILESCc1nc(CNC#N)oc1C
InChIInChI=1S/C7H9N3O/c1-5-6(2)11-7(10-5)3-9-4-8/h9H,3H2,1-2H3
InChIKeyRBOCJOOOPGDWPG-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.86
Rot. Bonds2

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

(4,5-dimethyl-1,3-oxazol-2-yl)methylcyanamide (PubChem CID 106371953) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is (4,5-dimethyl-1,3-oxazol-2-yl)methylcyanamide.

Molecular Properties

Compound Name(4,5-dimethyl-1,3-oxazol-2-yl)methylcyanamide
PubChem CID106371953
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name(4,5-dimethyl-1,3-oxazol-2-yl)methylcyanamide
SMILESCc1nc(CNC#N)oc1C
InChIInChI=1S/C7H9N3O/c1-5-6(2)11-7(10-5)3-9-4-8/h9H,3H2,1-2H3
InChIKeyRBOCJOOOPGDWPG-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

2,4,5-Trimethyloxazole
CID 30215
2-Ethyl-4,5-dimethyloxazole
CID 62069
4-(Aminomethyl)-2,5-dimethyl-1,3-oxazole
CID 16658924
(4,5-Dimethyl-1,3-Oxazol-2-Yl)Methanamine
CID 28293489
(Dimethyl-1,3-oxazol-5-yl)methanamine hydrochloride
CID 118991322
1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]-3-propylurea
CID 47360467
1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]-3-(2,2,2-trifluoroethyl)urea
CID 47360646
1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]-3-(3-methoxypropyl)urea
CID 47361631
(2-Ethyl-4-methyl-1,3-oxazol-5-yl)methanamine hydrochloride
CID 119031976
(Dimethyl-1,3-oxazol-2-yl)methanamine dihydrochloride
CID 137838497
2-Methyl-5-(methylamino)-1,3-oxazole-4-carbonitrile
CID 12286168
1-[(Dimethyl-1,3-oxazol-2-yl)methyl]-1,4-diazepane
CID 53532524

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethyl-1,3-oxazol-2-yl)methylcyanamide?
The IUPAC name of (4,5-dimethyl-1,3-oxazol-2-yl)methylcyanamide (CID 106371953) is (4,5-dimethyl-1,3-oxazol-2-yl)methylcyanamide.
What is the SMILES notation for (4,5-dimethyl-1,3-oxazol-2-yl)methylcyanamide?
The canonical SMILES for (4,5-dimethyl-1,3-oxazol-2-yl)methylcyanamide is Cc1nc(CNC#N)oc1C.
What is the InChIKey of (4,5-dimethyl-1,3-oxazol-2-yl)methylcyanamide?
The InChIKey is RBOCJOOOPGDWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c1-5-6(2)11-7(10-5)3-9-4-8/h9H,3H2,1-2H3.
What are the key properties of (4,5-dimethyl-1,3-oxazol-2-yl)methylcyanamide?
(4,5-dimethyl-1,3-oxazol-2-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 (4,5-dimethyl-1,3-oxazol-2-yl)methylcyanamide is sourced from PubChem (CID 106371953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).