2-(4-chlorophenoxy)-2-methyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]propanamide

C19H18ClN3O4 — CID 52904168

IUPAC2-(4-chlorophenoxy)-2-methyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nnc(COc2ccccc2)o1
InChIInChI=1S/C19H18ClN3O4/c1-19(2,27-15-10-8-13(20)9-11-15)17(24)21-18-23-22-16(26-18)12-25-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,21,23,24)
InChIKeyYFUGDAPAVDNRDU-UHFFFAOYSA-N
MW387.82 g/mol
LogP4.10
Rot. Bonds7

About 2-(4-chlorophenoxy)-2-methyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]propanamide

2-(4-chlorophenoxy)-2-methyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 52904168) has the molecular formula C19H18ClN3O4 and a molecular weight of 387.82 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-2-methyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-2-methyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID52904168
Molecular FormulaC19H18ClN3O4
Molecular Weight387.82 g/mol
Exact Mass387.10
IUPAC Name2-(4-chlorophenoxy)-2-methyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nnc(COc2ccccc2)o1
InChIInChI=1S/C19H18ClN3O4/c1-19(2,27-15-10-8-13(20)9-11-15)17(24)21-18-23-22-16(26-18)12-25-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,21,23,24)
InChIKeyYFUGDAPAVDNRDU-UHFFFAOYSA-N
XLogP4.10
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.82
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 11078012
5-[(4-chlorophenoxy)methyl]-N-(2-methoxyethyl)-1,3,4-oxadiazol-2-amine
CID 110456109
methyl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]benzoate
CID 888208
2-(4-chlorophenoxy)-2-methyl-N-(2-methylphenyl)propanamide
CID 2184934
2-(4-chlorophenoxy)-2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)propanamide
CID 171152519
(E)-3-[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]prop-2-enoic acid
CID 81257468
2-(4-chlorophenoxy)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 5085201
1-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-3,3-dimethylbutan-2-one
CID 78763812
2-(4-chlorophenoxy)-2-methyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide
CID 17321003
2-(4-chlorophenoxy)-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-methylpropanamide
CID 122355884
methyl 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzoate
CID 7671554
2-(4-chlorophenoxy)-N-methoxy-2-methylpropanamide
CID 51279285

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]propanamide (CID 52904168) is 2-(4-chlorophenoxy)-2-methyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-2-methyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-2-methyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]propanamide is CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nnc(COc2ccccc2)o1.
What is the InChIKey of 2-(4-chlorophenoxy)-2-methyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is YFUGDAPAVDNRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O4/c1-19(2,27-15-10-8-13(20)9-11-15)17(24)21-18-23-22-16(26-18)12-25-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,21,23,24).
What are the key properties of 2-(4-chlorophenoxy)-2-methyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]propanamide?
2-(4-chlorophenoxy)-2-methyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 387.82 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-2-methyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 52904168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).