(2R)-2-(2-chlorophenoxy)-N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide

C19H18ClN3O4 — CID 35126360

IUPAC(2R)-2-(2-chlorophenoxy)-N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide
SMILESCOc1ccc(-c2nonc2NC(=O)[C@@H](C)Oc2ccccc2Cl)cc1C
InChIInChI=1S/C19H18ClN3O4/c1-11-10-13(8-9-15(11)25-3)17-18(23-27-22-17)21-19(24)12(2)26-16-7-5-4-6-14(16)20/h4-10,12H,1-3H3,(H,21,23,24)/t12-/m1/s1
InChIKeyIHHSGEIFWGBTES-GFCCVEGCSA-N
MW387.82 g/mol
LogP4.11
Rot. Bonds6

About (2R)-2-(2-chlorophenoxy)-N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide

(2R)-2-(2-chlorophenoxy)-N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide (PubChem CID 35126360) has the molecular formula C19H18ClN3O4 and a molecular weight of 387.82 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenoxy)-N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenoxy)-N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide
PubChem CID35126360
Molecular FormulaC19H18ClN3O4
Molecular Weight387.82 g/mol
Exact Mass387.10
IUPAC Name(2R)-2-(2-chlorophenoxy)-N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide
SMILESCOc1ccc(-c2nonc2NC(=O)[C@@H](C)Oc2ccccc2Cl)cc1C
InChIInChI=1S/C19H18ClN3O4/c1-11-10-13(8-9-15(11)25-3)17-18(23-27-22-17)21-19(24)12(2)26-16-7-5-4-6-14(16)20/h4-10,12H,1-3H3,(H,21,23,24)/t12-/m1/s1
InChIKeyIHHSGEIFWGBTES-GFCCVEGCSA-N
XLogP4.11
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.82
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-chlorophenoxy)-N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide
CID 43842833
2-(2-fluorophenoxy)-N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide
CID 17014047
(2S)-N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(2-methoxyphenoxy)propanamide
CID 35129395
(2S)-2-(2-chlorophenoxy)-N-[4-(3,4-diethoxyphenyl)-1,2,5-oxadiazol-3-yl]propanamide
CID 40965376
(2S)-2-(4-fluorophenoxy)-N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide
CID 35126571
2-(2,3-dimethylphenoxy)-N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide
CID 43843037
(2S)-N-[4-(3,4-diethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-(2-fluorophenoxy)propanamide
CID 40965372
(2S)-N-[4-(3,4-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-propan-2-ylphenoxy)propanamide
CID 34953133
(2R)-2-(2,3-dimethylphenoxy)-N-(4-phenyl-1,2,5-oxadiazol-3-yl)propanamide
CID 40871308
(2S)-N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-fluorophenoxy)propanamide
CID 35129417
2-(3,5-dimethylphenoxy)-N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide
CID 17014594
N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-4-methylbenzamide
CID 17013592

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenoxy)-N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide?
The IUPAC name of (2R)-2-(2-chlorophenoxy)-N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide (CID 35126360) is (2R)-2-(2-chlorophenoxy)-N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide.
What is the SMILES notation for (2R)-2-(2-chlorophenoxy)-N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide?
The canonical SMILES for (2R)-2-(2-chlorophenoxy)-N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide is COc1ccc(-c2nonc2NC(=O)[C@@H](C)Oc2ccccc2Cl)cc1C.
What is the InChIKey of (2R)-2-(2-chlorophenoxy)-N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide?
The InChIKey is IHHSGEIFWGBTES-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H18ClN3O4/c1-11-10-13(8-9-15(11)25-3)17-18(23-27-22-17)21-19(24)12(2)26-16-7-5-4-6-14(16)20/h4-10,12H,1-3H3,(H,21,23,24)/t12-/m1/s1.
What are the key properties of (2R)-2-(2-chlorophenoxy)-N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide?
(2R)-2-(2-chlorophenoxy)-N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide has a molecular weight of 387.82 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chlorophenoxy)-N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide is sourced from PubChem (CID 35126360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).