N-(cyanomethyl)-2-(1,2-oxazol-5-ylmethylamino)acetamide

C8H10N4O2 — CID 106417912

IUPACN-(cyanomethyl)-2-(1,2-oxazol-5-ylmethylamino)acetamide
SMILESN#CCNC(=O)CNCc1ccno1
InChIInChI=1S/C8H10N4O2/c9-2-4-11-8(13)6-10-5-7-1-3-12-14-7/h1,3,10H,4-6H2,(H,11,13)
InChIKeyCDUDPVMMBQQTAK-UHFFFAOYSA-N
MW194.19 g/mol
LogP-0.60
Rot. Bonds5

About N-(cyanomethyl)-2-(1,2-oxazol-5-ylmethylamino)acetamide

N-(cyanomethyl)-2-(1,2-oxazol-5-ylmethylamino)acetamide (PubChem CID 106417912) has the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. Its IUPAC name is N-(cyanomethyl)-2-(1,2-oxazol-5-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-(1,2-oxazol-5-ylmethylamino)acetamide
PubChem CID106417912
Molecular FormulaC8H10N4O2
Molecular Weight194.19 g/mol
Exact Mass194.08
IUPAC NameN-(cyanomethyl)-2-(1,2-oxazol-5-ylmethylamino)acetamide
SMILESN#CCNC(=O)CNCc1ccno1
InChIInChI=1S/C8H10N4O2/c9-2-4-11-8(13)6-10-5-7-1-3-12-14-7/h1,3,10H,4-6H2,(H,11,13)
InChIKeyCDUDPVMMBQQTAK-UHFFFAOYSA-N
XLogP-0.60
TPSA90.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-0.60
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

2-(1,2-oxazol-5-ylmethylamino)-N-propylacetamide
CID 103605856
2-(1,2-oxazol-5-ylmethylamino)acetic acid
CID 43466227
2-(1,2-oxazol-5-ylmethylamino)acetamide
CID 103605544
N-(1,2-oxazol-5-ylmethyl)acetamide
CID 103939766
N-(cyanomethyl)-2-(pyridin-2-ylmethylamino)acetamide
CID 28583464
2-(tert-butylamino)-N-(1,2-oxazol-5-ylmethyl)acetamide
CID 104600446
1-(1,2-oxazol-5-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 165349203
N-(cyanomethyl)-2-[(5-methylthiophen-2-yl)methylamino]acetamide
CID 62054169
N-(cyanomethyl)-2-[(3-methyl-2-pyridinyl)methylamino]acetamide
CID 63306625
N-(cyanomethyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)acetamide
CID 106399263
N-(cyanomethyl)-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]acetamide
CID 106371540
N-(cyanomethyl)-2-(quinolin-8-ylmethylamino)acetamide
CID 81427388

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-(1,2-oxazol-5-ylmethylamino)acetamide?
The IUPAC name of N-(cyanomethyl)-2-(1,2-oxazol-5-ylmethylamino)acetamide (CID 106417912) is N-(cyanomethyl)-2-(1,2-oxazol-5-ylmethylamino)acetamide.
What is the SMILES notation for N-(cyanomethyl)-2-(1,2-oxazol-5-ylmethylamino)acetamide?
The canonical SMILES for N-(cyanomethyl)-2-(1,2-oxazol-5-ylmethylamino)acetamide is N#CCNC(=O)CNCc1ccno1.
What is the InChIKey of N-(cyanomethyl)-2-(1,2-oxazol-5-ylmethylamino)acetamide?
The InChIKey is CDUDPVMMBQQTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2/c9-2-4-11-8(13)6-10-5-7-1-3-12-14-7/h1,3,10H,4-6H2,(H,11,13).
What are the key properties of N-(cyanomethyl)-2-(1,2-oxazol-5-ylmethylamino)acetamide?
N-(cyanomethyl)-2-(1,2-oxazol-5-ylmethylamino)acetamide has a molecular weight of 194.19 g/mol, XLogP of -0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-(1,2-oxazol-5-ylmethylamino)acetamide is sourced from PubChem (CID 106417912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).