5-[(3,4-dimethylphenoxy)methyl]-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide

C21H29N3O4 — CID 24818973

IUPAC5-[(3,4-dimethylphenoxy)methyl]-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(OCc2cc(C(=O)NCC(C)(C)N3CCOCC3)no2)cc1C
InChIInChI=1S/C21H29N3O4/c1-15-5-6-17(11-16(15)2)27-13-18-12-19(23-28-18)20(25)22-14-21(3,4)24-7-9-26-10-8-24/h5-6,11-12H,7-10,13-14H2,1-4H3,(H,22,25)
InChIKeyBTZXAXMAVFTNQI-UHFFFAOYSA-N
MW387.48 g/mol
LogP2.71
Rot. Bonds7

About 5-[(3,4-dimethylphenoxy)methyl]-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide

5-[(3,4-dimethylphenoxy)methyl]-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide (PubChem CID 24818973) has the molecular formula C21H29N3O4 and a molecular weight of 387.48 g/mol. Its IUPAC name is 5-[(3,4-dimethylphenoxy)methyl]-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3,4-dimethylphenoxy)methyl]-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide
PubChem CID24818973
Molecular FormulaC21H29N3O4
Molecular Weight387.48 g/mol
Exact Mass387.22
IUPAC Name5-[(3,4-dimethylphenoxy)methyl]-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(OCc2cc(C(=O)NCC(C)(C)N3CCOCC3)no2)cc1C
InChIInChI=1S/C21H29N3O4/c1-15-5-6-17(11-16(15)2)27-13-18-12-19(23-28-18)20(25)22-14-21(3,4)24-7-9-26-10-8-24/h5-6,11-12H,7-10,13-14H2,1-4H3,(H,22,25)
InChIKeyBTZXAXMAVFTNQI-UHFFFAOYSA-N
XLogP2.71
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dimethylphenoxy)methyl]-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(3,4-dimethylphenoxy)methyl]-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide (CID 24818973) is 5-[(3,4-dimethylphenoxy)methyl]-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(3,4-dimethylphenoxy)methyl]-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(3,4-dimethylphenoxy)methyl]-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide is Cc1ccc(OCc2cc(C(=O)NCC(C)(C)N3CCOCC3)no2)cc1C.
What is the InChIKey of 5-[(3,4-dimethylphenoxy)methyl]-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is BTZXAXMAVFTNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4/c1-15-5-6-17(11-16(15)2)27-13-18-12-19(23-28-18)20(25)22-14-21(3,4)24-7-9-26-10-8-24/h5-6,11-12H,7-10,13-14H2,1-4H3,(H,22,25).
What are the key properties of 5-[(3,4-dimethylphenoxy)methyl]-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide?
5-[(3,4-dimethylphenoxy)methyl]-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dimethylphenoxy)methyl]-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24818973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).