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

C16H20ClN3O2 — CID 70567845

IUPAC2-chloro-N-(2-methylphenyl)-N-[(5-propyl-1,3,4-oxadiazol-2-yl)methyl]propanamide
SMILESCCCc1nnc(CN(C(=O)C(C)Cl)c2ccccc2C)o1
InChIInChI=1S/C16H20ClN3O2/c1-4-7-14-18-19-15(22-14)10-20(16(21)12(3)17)13-9-6-5-8-11(13)2/h5-6,8-9,12H,4,7,10H2,1-3H3
InChIKeyOJFJZGJNSYZOJU-UHFFFAOYSA-N
MW321.81 g/mol
LogP3.49
Rot. Bonds6

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

2-chloro-N-(2-methylphenyl)-N-[(5-propyl-1,3,4-oxadiazol-2-yl)methyl]propanamide (PubChem CID 70567845) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is 2-chloro-N-(2-methylphenyl)-N-[(5-propyl-1,3,4-oxadiazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-(2-methylphenyl)-N-[(5-propyl-1,3,4-oxadiazol-2-yl)methyl]propanamide
PubChem CID70567845
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC Name2-chloro-N-(2-methylphenyl)-N-[(5-propyl-1,3,4-oxadiazol-2-yl)methyl]propanamide
SMILESCCCc1nnc(CN(C(=O)C(C)Cl)c2ccccc2C)o1
InChIInChI=1S/C16H20ClN3O2/c1-4-7-14-18-19-15(22-14)10-20(16(21)12(3)17)13-9-6-5-8-11(13)2/h5-6,8-9,12H,4,7,10H2,1-3H3
InChIKeyOJFJZGJNSYZOJU-UHFFFAOYSA-N
XLogP3.49
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(2-methylphenyl)-N-[[5-(trichloromethyl)-1,3,4-oxadiazol-2-yl]methyl]butanamide
CID 70573315
2-chloro-N-(2-methylphenyl)-N-(1,3,4-thiadiazol-2-ylmethyl)propanamide
CID 70569088
2,2-dichloro-N-(2-methylphenyl)-N-(1,3,4-oxadiazol-2-ylmethyl)acetamide
CID 70568179
2-chloro-N-(2-methylphenyl)-N-[[5-(trichloromethyl)-1,3,4-thiadiazol-2-yl]methyl]propanamide
CID 70568326
2-chloro-N-(2-methylphenyl)-N-(pyrazin-2-ylmethyl)propanamide
CID 70449024
2-chloro-N-(2-methylphenyl)-N-(pyrazol-1-ylmethyl)propanamide
CID 19805763
2,2-dichloro-N-ethyl-N-(2-methylphenyl)acetamide
CID 3338024
2-chloro-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2-methylphenyl)butanamide
CID 70575641
2-chloro-N-[(5-methoxy-4-methyl-1,2,4-triazol-3-yl)methyl]-N-(2-methylphenyl)butanamide
CID 70576113
2-chloro-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-phenylbutanamide
CID 70568267
N-ethyl-2-methyl-N-(2-methylphenyl)pentanamide
CID 2890658
3-(N-ethyl-2-methylanilino)-2-methyl-3-oxopropanoic acid
CID 114896860

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methylphenyl)-N-[(5-propyl-1,3,4-oxadiazol-2-yl)methyl]propanamide?
The IUPAC name of 2-chloro-N-(2-methylphenyl)-N-[(5-propyl-1,3,4-oxadiazol-2-yl)methyl]propanamide (CID 70567845) is 2-chloro-N-(2-methylphenyl)-N-[(5-propyl-1,3,4-oxadiazol-2-yl)methyl]propanamide.
What is the SMILES notation for 2-chloro-N-(2-methylphenyl)-N-[(5-propyl-1,3,4-oxadiazol-2-yl)methyl]propanamide?
The canonical SMILES for 2-chloro-N-(2-methylphenyl)-N-[(5-propyl-1,3,4-oxadiazol-2-yl)methyl]propanamide is CCCc1nnc(CN(C(=O)C(C)Cl)c2ccccc2C)o1.
What is the InChIKey of 2-chloro-N-(2-methylphenyl)-N-[(5-propyl-1,3,4-oxadiazol-2-yl)methyl]propanamide?
The InChIKey is OJFJZGJNSYZOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2/c1-4-7-14-18-19-15(22-14)10-20(16(21)12(3)17)13-9-6-5-8-11(13)2/h5-6,8-9,12H,4,7,10H2,1-3H3.
What are the key properties of 2-chloro-N-(2-methylphenyl)-N-[(5-propyl-1,3,4-oxadiazol-2-yl)methyl]propanamide?
2-chloro-N-(2-methylphenyl)-N-[(5-propyl-1,3,4-oxadiazol-2-yl)methyl]propanamide has a molecular weight of 321.81 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methylphenyl)-N-[(5-propyl-1,3,4-oxadiazol-2-yl)methyl]propanamide is sourced from PubChem (CID 70567845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).