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

C15H18ClN3O2 — CID 70568267

IUPAC2-chloro-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-phenylbutanamide
SMILESCc1nnc(CN(C(=O)C(Cl)C(C)C)c2ccccc2)o1
InChIInChI=1S/C15H18ClN3O2/c1-10(2)14(16)15(20)19(12-7-5-4-6-8-12)9-13-18-17-11(3)21-13/h4-8,10,14H,9H2,1-3H3
InChIKeyHZEQGXWNVHHTRX-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.17
Rot. Bonds5

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

2-chloro-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-phenylbutanamide (PubChem CID 70568267) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 2-chloro-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-phenylbutanamide.

Molecular Properties

Compound Name2-chloro-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-phenylbutanamide
PubChem CID70568267
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name2-chloro-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-phenylbutanamide
SMILESCc1nnc(CN(C(=O)C(Cl)C(C)C)c2ccccc2)o1
InChIInChI=1S/C15H18ClN3O2/c1-10(2)14(16)15(20)19(12-7-5-4-6-8-12)9-13-18-17-11(3)21-13/h4-8,10,14H,9H2,1-3H3
InChIKeyHZEQGXWNVHHTRX-UHFFFAOYSA-N
XLogP3.17
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-phenylbutanamide?
The IUPAC name of 2-chloro-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-phenylbutanamide (CID 70568267) is 2-chloro-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-phenylbutanamide.
What is the SMILES notation for 2-chloro-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-phenylbutanamide?
The canonical SMILES for 2-chloro-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-phenylbutanamide is Cc1nnc(CN(C(=O)C(Cl)C(C)C)c2ccccc2)o1.
What is the InChIKey of 2-chloro-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-phenylbutanamide?
The InChIKey is HZEQGXWNVHHTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-10(2)14(16)15(20)19(12-7-5-4-6-8-12)9-13-18-17-11(3)21-13/h4-8,10,14H,9H2,1-3H3.
What are the key properties of 2-chloro-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-phenylbutanamide?
2-chloro-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-phenylbutanamide has a molecular weight of 307.78 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-phenylbutanamide is sourced from PubChem (CID 70568267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).