5-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentanamide

C9H14ClN3O2 — CID 103825929

IUPAC5-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentanamide
SMILESCc1nc(CNC(=O)CCCCCl)no1
InChIInChI=1S/C9H14ClN3O2/c1-7-12-8(13-15-7)6-11-9(14)4-2-3-5-10/h2-6H2,1H3,(H,11,14)
InChIKeyZJXNSHDPNMTPOO-UHFFFAOYSA-N
MW231.68 g/mol
LogP1.40
Rot. Bonds6

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

5-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentanamide (PubChem CID 103825929) has the molecular formula C9H14ClN3O2 and a molecular weight of 231.68 g/mol. Its IUPAC name is 5-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentanamide.

Molecular Properties

Compound Name5-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentanamide
PubChem CID103825929
Molecular FormulaC9H14ClN3O2
Molecular Weight231.68 g/mol
Exact Mass231.08
IUPAC Name5-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentanamide
SMILESCc1nc(CNC(=O)CCCCCl)no1
InChIInChI=1S/C9H14ClN3O2/c1-7-12-8(13-15-7)6-11-9(14)4-2-3-5-10/h2-6H2,1H3,(H,11,14)
InChIKeyZJXNSHDPNMTPOO-UHFFFAOYSA-N
XLogP1.40
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butanamide
CID 170387178
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentanamide;molecular hydrogen
CID 170583064
N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 3312981
N-((3-methyl-1,2,4-oxadiazol-5-yl)methyl)pentanamide
CID 49722141
2,2-dichloro-1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 60327580
3-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 61013992
5-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pentanamide
CID 61014099
3-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]propanamide
CID 61864739
1-(5-butyl-1,2,4-oxadiazol-3-yl)-N-methylmethanamine
CID 62337505
N-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 62343950
3-chloro-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 62726449
4-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butanamide
CID 63308322

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentanamide?
The IUPAC name of 5-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentanamide (CID 103825929) is 5-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentanamide.
What is the SMILES notation for 5-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentanamide?
The canonical SMILES for 5-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentanamide is Cc1nc(CNC(=O)CCCCCl)no1.
What is the InChIKey of 5-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentanamide?
The InChIKey is ZJXNSHDPNMTPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O2/c1-7-12-8(13-15-7)6-11-9(14)4-2-3-5-10/h2-6H2,1H3,(H,11,14).
What are the key properties of 5-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentanamide?
5-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentanamide has a molecular weight of 231.68 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentanamide is sourced from PubChem (CID 103825929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).