N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-ethyl-1,3-oxazole-4-carboxamide

C15H13ClN4O3 — CID 28730312

IUPACN-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-ethyl-1,3-oxazole-4-carboxamide
SMILESCCc1ocnc1C(=O)NCc1nc(-c2ccccc2Cl)no1
InChIInChI=1S/C15H13ClN4O3/c1-2-11-13(18-8-22-11)15(21)17-7-12-19-14(20-23-12)9-5-3-4-6-10(9)16/h3-6,8H,2,7H2,1H3,(H,17,21)
InChIKeyFTIGNFCLLHJUDF-UHFFFAOYSA-N
MW332.75 g/mol
LogP2.87
Rot. Bonds5

About N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-ethyl-1,3-oxazole-4-carboxamide

N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-ethyl-1,3-oxazole-4-carboxamide (PubChem CID 28730312) has the molecular formula C15H13ClN4O3 and a molecular weight of 332.75 g/mol. Its IUPAC name is N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-ethyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-ethyl-1,3-oxazole-4-carboxamide
PubChem CID28730312
Molecular FormulaC15H13ClN4O3
Molecular Weight332.75 g/mol
Exact Mass332.07
IUPAC NameN-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-ethyl-1,3-oxazole-4-carboxamide
SMILESCCc1ocnc1C(=O)NCc1nc(-c2ccccc2Cl)no1
InChIInChI=1S/C15H13ClN4O3/c1-2-11-13(18-8-22-11)15(21)17-7-12-19-14(20-23-12)9-5-3-4-6-10(9)16/h3-6,8H,2,7H2,1H3,(H,17,21)
InChIKeyFTIGNFCLLHJUDF-UHFFFAOYSA-N
XLogP2.87
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.75
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-ethyl-1,3-oxazole-4-carboxamide with MolForge

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Related Compounds

N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
CID 6492197
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxybenzamide
CID 4970836
(2R)-2-amino-N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 124500623
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 100682908
2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]acetic acid
CID 43465937
methyl 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474434
(2R)-2-(2-chlorophenoxy)-N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 97267412
(3R)-3-benzyl-4-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]-4-oxobutanoic acid
CID 67413965
N-(2,6-dichlorophenyl)sulfonyl-5-ethyl-1,3-oxazole-4-carboxamide
CID 84584476
3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-[(1,3-dimethylpyrrolidin-3-yl)methyl]-1-methylurea
CID 122566756
(2S)-N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methoxyphenoxy)butanamide
CID 97267545
2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone
CID 63345476

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-ethyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-ethyl-1,3-oxazole-4-carboxamide (CID 28730312) is N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-ethyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-ethyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-ethyl-1,3-oxazole-4-carboxamide is CCc1ocnc1C(=O)NCc1nc(-c2ccccc2Cl)no1.
What is the InChIKey of N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-ethyl-1,3-oxazole-4-carboxamide?
The InChIKey is FTIGNFCLLHJUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O3/c1-2-11-13(18-8-22-11)15(21)17-7-12-19-14(20-23-12)9-5-3-4-6-10(9)16/h3-6,8H,2,7H2,1H3,(H,17,21).
What are the key properties of N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-ethyl-1,3-oxazole-4-carboxamide?
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-ethyl-1,3-oxazole-4-carboxamide has a molecular weight of 332.75 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-ethyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 28730312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).