N-(2-cyanoethyl)-2-(1,2-oxazol-3-ylmethylamino)acetamide

C9H12N4O2 — CID 81177679

IUPACN-(2-cyanoethyl)-2-(1,2-oxazol-3-ylmethylamino)acetamide
SMILESN#CCCNC(=O)CNCc1ccon1
InChIInChI=1S/C9H12N4O2/c10-3-1-4-12-9(14)7-11-6-8-2-5-15-13-8/h2,5,11H,1,4,6-7H2,(H,12,14)
InChIKeyDXTHBCCNIGSCDT-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.21
Rot. Bonds6

About N-(2-cyanoethyl)-2-(1,2-oxazol-3-ylmethylamino)acetamide

N-(2-cyanoethyl)-2-(1,2-oxazol-3-ylmethylamino)acetamide (PubChem CID 81177679) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-(1,2-oxazol-3-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-(1,2-oxazol-3-ylmethylamino)acetamide
PubChem CID81177679
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC NameN-(2-cyanoethyl)-2-(1,2-oxazol-3-ylmethylamino)acetamide
SMILESN#CCCNC(=O)CNCc1ccon1
InChIInChI=1S/C9H12N4O2/c10-3-1-4-12-9(14)7-11-6-8-2-5-15-13-8/h2,5,11H,1,4,6-7H2,(H,12,14)
InChIKeyDXTHBCCNIGSCDT-UHFFFAOYSA-N
XLogP-0.21
TPSA90.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(methylamino)-N-(1,2-oxazol-3-ylmethyl)acetamide
CID 81171210
2-amino-N-[2-(1,2-oxazol-3-ylmethylamino)-2-oxoethyl]acetamide;hydrochloride
CID 167874068
2-[[2-(benzylamino)-2-oxoethyl]amino]-N-(2-cyanoethyl)acetamide
CID 60972076
N-(2-cyanoethyl)-2-(thiophen-3-ylmethylamino)acetamide
CID 60976742
N-cycloheptyl-2-(1,2-oxazol-3-ylmethylamino)acetamide
CID 81177432
N-(2,6-dichlorophenyl)-2-(1,2-oxazol-3-ylmethylamino)acetamide
CID 81178095
N-(2-bromophenyl)-2-(1,2-oxazol-3-ylmethylamino)acetamide
CID 81177334
N-(2-cyanoethyl)-2-(quinolin-8-ylmethylamino)acetamide
CID 81427738
N-(cyanomethyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)acetamide
CID 106399263
N-(2-cyanoethyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]acetamide
CID 28577870
1-amino-3-(1,2-oxazol-3-ylmethyl)urea
CID 81177768
4-(methylamino)-N-(1,2-oxazol-3-ylmethyl)butanamide
CID 81170882

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-(1,2-oxazol-3-ylmethylamino)acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-(1,2-oxazol-3-ylmethylamino)acetamide (CID 81177679) is N-(2-cyanoethyl)-2-(1,2-oxazol-3-ylmethylamino)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-(1,2-oxazol-3-ylmethylamino)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-(1,2-oxazol-3-ylmethylamino)acetamide is N#CCCNC(=O)CNCc1ccon1.
What is the InChIKey of N-(2-cyanoethyl)-2-(1,2-oxazol-3-ylmethylamino)acetamide?
The InChIKey is DXTHBCCNIGSCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c10-3-1-4-12-9(14)7-11-6-8-2-5-15-13-8/h2,5,11H,1,4,6-7H2,(H,12,14).
What are the key properties of N-(2-cyanoethyl)-2-(1,2-oxazol-3-ylmethylamino)acetamide?
N-(2-cyanoethyl)-2-(1,2-oxazol-3-ylmethylamino)acetamide has a molecular weight of 208.22 g/mol, XLogP of -0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-(1,2-oxazol-3-ylmethylamino)acetamide is sourced from PubChem (CID 81177679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).