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

C14H16ClN3O3 — CID 110333731

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CCc1nnc(C)o1
InChIInChI=1S/C14H16ClN3O3/c1-8-6-11(12(20-3)7-10(8)15)16-13(19)4-5-14-18-17-9(2)21-14/h6-7H,4-5H2,1-3H3,(H,16,19)
InChIKeyANPARJFLPCIASL-UHFFFAOYSA-N
MW309.75 g/mol
LogP2.92
Rot. Bonds5

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

N-(4-chloro-2-methoxy-5-methylphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 110333731) has the molecular formula C14H16ClN3O3 and a molecular weight of 309.75 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide
PubChem CID110333731
Molecular FormulaC14H16ClN3O3
Molecular Weight309.75 g/mol
Exact Mass309.09
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CCc1nnc(C)o1
InChIInChI=1S/C14H16ClN3O3/c1-8-6-11(12(20-3)7-10(8)15)16-13(19)4-5-14-18-17-9(2)21-14/h6-7H,4-5H2,1-3H3,(H,16,19)
InChIKeyANPARJFLPCIASL-UHFFFAOYSA-N
XLogP2.92
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-chlorophenyl)propanamide
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N-(4-chloro-2-methoxy-5-methylphenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
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N-(4-chloro-2-methoxy-5-methylphenyl)-5-hydroxypentanamide
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N-(4-chloro-2-methoxy-5-methylphenyl)-3-(1H-imidazol-5-yl)propanamide
CID 110698008
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N-(4-chloro-2-methoxy-5-methylphenyl)-3-(diaminomethylideneamino)propanamide;hydroiodide
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3-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3-sulfanylidenepropanamide
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N-(2,6-dichlorophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide
CID 110333728
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]acetamide
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N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylbutanamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide (CID 110333731) is N-(4-chloro-2-methoxy-5-methylphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide is COc1cc(Cl)c(C)cc1NC(=O)CCc1nnc(C)o1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide?
The InChIKey is ANPARJFLPCIASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O3/c1-8-6-11(12(20-3)7-10(8)15)16-13(19)4-5-14-18-17-9(2)21-14/h6-7H,4-5H2,1-3H3,(H,16,19).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 309.75 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 110333731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).