N-[2-(4-chlorophenyl)ethyl]-5-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide

C19H18ClN3O3 — CID 22431580

IUPACN-[2-(4-chlorophenyl)ethyl]-5-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1ccccc1Cc1nnc(C(=O)NCCc2ccc(Cl)cc2)o1
InChIInChI=1S/C19H18ClN3O3/c1-25-16-5-3-2-4-14(16)12-17-22-23-19(26-17)18(24)21-11-10-13-6-8-15(20)9-7-13/h2-9H,10-12H2,1H3,(H,21,24)
InChIKeyTWDBBQLMILKHPT-UHFFFAOYSA-N
MW371.82 g/mol
LogP3.29
Rot. Bonds7

About N-[2-(4-chlorophenyl)ethyl]-5-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide

N-[2-(4-chlorophenyl)ethyl]-5-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 22431580) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-5-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-5-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID22431580
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-5-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1ccccc1Cc1nnc(C(=O)NCCc2ccc(Cl)cc2)o1
InChIInChI=1S/C19H18ClN3O3/c1-25-16-5-3-2-4-14(16)12-17-22-23-19(26-17)18(24)21-11-10-13-6-8-15(20)9-7-13/h2-9H,10-12H2,1H3,(H,21,24)
InChIKeyTWDBBQLMILKHPT-UHFFFAOYSA-N
XLogP3.29
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-methoxyphenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431824
5-[(2-methoxyphenyl)methyl]-N-propyl-1,3,4-oxadiazole-2-carboxamide
CID 22520113
N-(2-phenylethyl)-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431653
5-[(2-chlorophenyl)methyl]-N-[2-(3,4-diethoxyphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431914
5-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-1,3,4-oxadiazole-2-carboxamide
CID 22431933
2-[2-(4-chlorophenyl)ethylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 109000751
5-[(2-chloro-4-fluorophenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431765
3-(4-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide
CID 110298815
2-amino-N-[2-(4-chlorophenyl)ethyl]-6-methoxybenzamide
CID 81395966
5-[(2-chlorophenyl)methyl]-N-(2-hydroxyethyl)-1,3,4-oxadiazole-2-carboxamide
CID 22431940
3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 110334614
5-[(2-chlorophenyl)methyl]-N-(3-ethoxypropyl)-1,3,4-oxadiazole-2-carboxamide
CID 22431946

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-5-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-5-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide (CID 22431580) is N-[2-(4-chlorophenyl)ethyl]-5-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-5-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-5-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide is COc1ccccc1Cc1nnc(C(=O)NCCc2ccc(Cl)cc2)o1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-5-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is TWDBBQLMILKHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c1-25-16-5-3-2-4-14(16)12-17-22-23-19(26-17)18(24)21-11-10-13-6-8-15(20)9-7-13/h2-9H,10-12H2,1H3,(H,21,24).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-5-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-5-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 371.82 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-5-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 22431580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).