N'-(cyanomethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]oxamide

C9H11N5O3 — CID 106417469

IUPACN'-(cyanomethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]oxamide
SMILESCc1noc(CCNC(=O)C(=O)NCC#N)n1
InChIInChI=1S/C9H11N5O3/c1-6-13-7(17-14-6)2-4-11-8(15)9(16)12-5-3-10/h2,4-5H2,1H3,(H,11,15)(H,12,16)
InChIKeyCXKLRCJIKKSQDY-UHFFFAOYSA-N
MW237.22 g/mol
LogP-1.32
Rot. Bonds4

About N'-(cyanomethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]oxamide

N'-(cyanomethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]oxamide (PubChem CID 106417469) has the molecular formula C9H11N5O3 and a molecular weight of 237.22 g/mol. Its IUPAC name is N'-(cyanomethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(cyanomethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]oxamide
PubChem CID106417469
Molecular FormulaC9H11N5O3
Molecular Weight237.22 g/mol
Exact Mass237.09
IUPAC NameN'-(cyanomethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]oxamide
SMILESCc1noc(CCNC(=O)C(=O)NCC#N)n1
InChIInChI=1S/C9H11N5O3/c1-6-13-7(17-14-6)2-4-11-8(15)9(16)12-5-3-10/h2,4-5H2,1H3,(H,11,15)(H,12,16)
InChIKeyCXKLRCJIKKSQDY-UHFFFAOYSA-N
XLogP-1.32
TPSA120.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 5-1.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pentanamide
CID 106417471
3-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 106415377
3-(methylamino)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 106416348
3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid
CID 106420746
2-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 106415376
2-amino-3-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 103796130
methyl 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetate
CID 106417020
N-[2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]acetamide
CID 106416797
3,5-dihydroxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 103892309
4-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 103796132
3-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 103810155
2-iodo-3,3-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 89148487

Frequently Asked Questions

What is the IUPAC name of N'-(cyanomethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]oxamide?
The IUPAC name of N'-(cyanomethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]oxamide (CID 106417469) is N'-(cyanomethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]oxamide.
What is the SMILES notation for N'-(cyanomethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]oxamide?
The canonical SMILES for N'-(cyanomethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]oxamide is Cc1noc(CCNC(=O)C(=O)NCC#N)n1.
What is the InChIKey of N'-(cyanomethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]oxamide?
The InChIKey is CXKLRCJIKKSQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O3/c1-6-13-7(17-14-6)2-4-11-8(15)9(16)12-5-3-10/h2,4-5H2,1H3,(H,11,15)(H,12,16).
What are the key properties of N'-(cyanomethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]oxamide?
N'-(cyanomethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]oxamide has a molecular weight of 237.22 g/mol, XLogP of -1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyanomethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]oxamide is sourced from PubChem (CID 106417469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).