5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1,2-oxazole-3-carboxamide

C20H22ClN3O4 — CID 24791023

IUPAC5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(OCc2cc(C(=O)NCc3cc(C(C)C)no3)no2)cc(C)c1Cl
InChIInChI=1S/C20H22ClN3O4/c1-11(2)17-7-15(27-23-17)9-22-20(25)18-8-16(28-24-18)10-26-14-5-12(3)19(21)13(4)6-14/h5-8,11H,9-10H2,1-4H3,(H,22,25)
InChIKeyHSQNKCTXNXJGKS-UHFFFAOYSA-N
MW403.87 g/mol
LogP4.57
Rot. Bonds7

About 5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1,2-oxazole-3-carboxamide

5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 24791023) has the molecular formula C20H22ClN3O4 and a molecular weight of 403.87 g/mol. Its IUPAC name is 5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID24791023
Molecular FormulaC20H22ClN3O4
Molecular Weight403.87 g/mol
Exact Mass403.13
IUPAC Name5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(OCc2cc(C(=O)NCc3cc(C(C)C)no3)no2)cc(C)c1Cl
InChIInChI=1S/C20H22ClN3O4/c1-11(2)17-7-15(27-23-17)9-22-20(25)18-8-16(28-24-18)10-26-14-5-12(3)19(21)13(4)6-14/h5-8,11H,9-10H2,1-4H3,(H,22,25)
InChIKeyHSQNKCTXNXJGKS-UHFFFAOYSA-N
XLogP4.57
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.87
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1,2-oxazole-3-carboxamide (CID 24791023) is 5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1,2-oxazole-3-carboxamide is Cc1cc(OCc2cc(C(=O)NCc3cc(C(C)C)no3)no2)cc(C)c1Cl.
What is the InChIKey of 5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is HSQNKCTXNXJGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O4/c1-11(2)17-7-15(27-23-17)9-22-20(25)18-8-16(28-24-18)10-26-14-5-12(3)19(21)13(4)6-14/h5-8,11H,9-10H2,1-4H3,(H,22,25).
What are the key properties of 5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1,2-oxazole-3-carboxamide?
5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 403.87 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24791023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).