N-(cyanomethyl)-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]acetamide

C10H14N4O2 — CID 106371540

IUPACN-(cyanomethyl)-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]acetamide
SMILESCCc1cnc(CNCC(=O)NCC#N)o1
InChIInChI=1S/C10H14N4O2/c1-2-8-5-14-10(16-8)7-12-6-9(15)13-4-3-11/h5,12H,2,4,6-7H2,1H3,(H,13,15)
InChIKeyLEKWEZZRDPVKPG-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.03
Rot. Bonds6

About N-(cyanomethyl)-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]acetamide

N-(cyanomethyl)-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]acetamide (PubChem CID 106371540) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is N-(cyanomethyl)-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]acetamide
PubChem CID106371540
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC NameN-(cyanomethyl)-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]acetamide
SMILESCCc1cnc(CNCC(=O)NCC#N)o1
InChIInChI=1S/C10H14N4O2/c1-2-8-5-14-10(16-8)7-12-6-9(15)13-4-3-11/h5,12H,2,4,6-7H2,1H3,(H,13,15)
InChIKeyLEKWEZZRDPVKPG-UHFFFAOYSA-N
XLogP-0.03
TPSA90.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]acetamide
CID 106370872
2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-N-methylacetamide
CID 106371047
2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-N-(1-methoxypropan-2-yl)acetamide
CID 106371334
N,N-diethyl-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]acetamide
CID 106371331
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylprop-2-en-1-amine
CID 106371299
2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-1-morpholin-4-ylethanone
CID 114180248
3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]propanamide
CID 106371045
methyl 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-2-methylpropanoate
CID 106371286
N-(cyanomethyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)acetamide
CID 106399263
N-(cyanomethyl)-2-(1,2-oxazol-5-ylmethylamino)acetamide
CID 106417912
methyl 2-bromo-3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]propanoate
CID 106373494
4-[[(5-ethyl-1,3-oxazol-2-yl)methylamino]methyl]benzonitrile
CID 104969494

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]acetamide?
The IUPAC name of N-(cyanomethyl)-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]acetamide (CID 106371540) is N-(cyanomethyl)-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]acetamide.
What is the SMILES notation for N-(cyanomethyl)-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]acetamide?
The canonical SMILES for N-(cyanomethyl)-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]acetamide is CCc1cnc(CNCC(=O)NCC#N)o1.
What is the InChIKey of N-(cyanomethyl)-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]acetamide?
The InChIKey is LEKWEZZRDPVKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-2-8-5-14-10(16-8)7-12-6-9(15)13-4-3-11/h5,12H,2,4,6-7H2,1H3,(H,13,15).
What are the key properties of N-(cyanomethyl)-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]acetamide?
N-(cyanomethyl)-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]acetamide has a molecular weight of 222.25 g/mol, XLogP of -0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]acetamide is sourced from PubChem (CID 106371540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).