2-cyano-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide

C9H11N3O2 — CID 104696925

IUPAC2-cyano-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide
SMILESCc1nc(CNC(=O)CC#N)oc1C
InChIInChI=1S/C9H11N3O2/c1-6-7(2)14-9(12-6)5-11-8(13)3-4-10/h3,5H2,1-2H3,(H,11,13)
InChIKeyUIOGCBPFLCHXQL-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.82
Rot. Bonds3

About 2-cyano-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide

2-cyano-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide (PubChem CID 104696925) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-cyano-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide
PubChem CID104696925
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name2-cyano-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide
SMILESCc1nc(CNC(=O)CC#N)oc1C
InChIInChI=1S/C9H11N3O2/c1-6-7(2)14-9(12-6)5-11-8(13)3-4-10/h3,5H2,1-2H3,(H,11,13)
InChIKeyUIOGCBPFLCHXQL-UHFFFAOYSA-N
XLogP0.82
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(prop-2-ynylamino)acetamide
CID 106371733
6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-6-oxohexanoic acid
CID 106370238
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]acetonitrile
CID 106372653
5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 106703129
(4,5-dimethyl-1,3-oxazol-2-yl)methylcyanamide
CID 106371953
3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]hexanamide
CID 114180296
3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,4-dimethylpentanamide
CID 114180290
2-[2-(aminomethyl)phenyl]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide
CID 106371582
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]cyclopropanecarboxamide
CID 103623190
1-tert-butyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea
CID 103752681
2-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoylamino]acetyl]amino]acetic acid
CID 106374923
ethyl 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-oxoacetate
CID 106375940

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide?
The IUPAC name of 2-cyano-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide (CID 104696925) is 2-cyano-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-cyano-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-cyano-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide is Cc1nc(CNC(=O)CC#N)oc1C.
What is the InChIKey of 2-cyano-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide?
The InChIKey is UIOGCBPFLCHXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-6-7(2)14-9(12-6)5-11-8(13)3-4-10/h3,5H2,1-2H3,(H,11,13).
What are the key properties of 2-cyano-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide?
2-cyano-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide has a molecular weight of 193.21 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide is sourced from PubChem (CID 104696925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).