N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)-1-oxohexan-2-yl]formamide

C10H15N3O3 — CID 23586807

IUPACN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)-1-oxohexan-2-yl]formamide
SMILESCCCCC(NC=O)C(=O)c1noc(C)n1
InChIInChI=1S/C10H15N3O3/c1-3-4-5-8(11-6-14)9(15)10-12-7(2)16-13-10/h6,8H,3-5H2,1-2H3,(H,11,14)
InChIKeyPNKOSWBJBRLYOS-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.87
Rot. Bonds7

About N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)-1-oxohexan-2-yl]formamide

N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)-1-oxohexan-2-yl]formamide (PubChem CID 23586807) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)-1-oxohexan-2-yl]formamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)-1-oxohexan-2-yl]formamide
PubChem CID23586807
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC NameN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)-1-oxohexan-2-yl]formamide
SMILESCCCCC(NC=O)C(=O)c1noc(C)n1
InChIInChI=1S/C10H15N3O3/c1-3-4-5-8(11-6-14)9(15)10-12-7(2)16-13-10/h6,8H,3-5H2,1-2H3,(H,11,14)
InChIKeyPNKOSWBJBRLYOS-UHFFFAOYSA-N
XLogP0.87
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-methyl-N-[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]hexanamide
CID 100726211
N-[1-oxo-1-(5-phenyl-1,3,4-oxadiazol-2-yl)hexan-2-yl]formamide
CID 23586812
2-methyl-6-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]heptanoic acid
CID 65284802
bis(5-methyl-1,2,4-oxadiazol-3-yl)methanone
CID 90843715
lithium 5-methyl-1,2,4-oxadiazole-3-carboxylate
CID 134690810
N-[1-oxo-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)hexan-2-yl]formamide
CID 23586795
ethyl (2S)-6-amino-2-formamidohexanoate
CID 57231978
2-formamidopentanedioic acid;2-(methylamino)hexanoic acid
CID 142524099
2-hydroxy-4-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid
CID 107832050
ethane;2-formamidopentanedioic acid;2-(methylamino)hexanoic acid
CID 142524077
5-hexan-2-yl-1,2,4-oxadiazole-3-carboxylic acid
CID 165484826
5-(1-aminopentyl)-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 102790410

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)-1-oxohexan-2-yl]formamide?
The IUPAC name of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)-1-oxohexan-2-yl]formamide (CID 23586807) is N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)-1-oxohexan-2-yl]formamide.
What is the SMILES notation for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)-1-oxohexan-2-yl]formamide?
The canonical SMILES for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)-1-oxohexan-2-yl]formamide is CCCCC(NC=O)C(=O)c1noc(C)n1.
What is the InChIKey of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)-1-oxohexan-2-yl]formamide?
The InChIKey is PNKOSWBJBRLYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-3-4-5-8(11-6-14)9(15)10-12-7(2)16-13-10/h6,8H,3-5H2,1-2H3,(H,11,14).
What are the key properties of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)-1-oxohexan-2-yl]formamide?
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)-1-oxohexan-2-yl]formamide has a molecular weight of 225.25 g/mol, XLogP of 0.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)-1-oxohexan-2-yl]formamide is sourced from PubChem (CID 23586807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).