5-methyl-4-[(2-methylphenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide

C24H27N3O4 — CID 19443022

IUPAC5-methyl-4-[(2-methylphenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccccc1OCc1c(C(=O)Nc2cccc(CN3CCOCC3)c2)noc1C
InChIInChI=1S/C24H27N3O4/c1-17-6-3-4-9-22(17)30-16-21-18(2)31-26-23(21)24(28)25-20-8-5-7-19(14-20)15-27-10-12-29-13-11-27/h3-9,14H,10-13,15-16H2,1-2H3,(H,25,28)
InChIKeyRYQUGGSUKNPFHF-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.95
Rot. Bonds7

About 5-methyl-4-[(2-methylphenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide

5-methyl-4-[(2-methylphenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 19443022) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is 5-methyl-4-[(2-methylphenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-4-[(2-methylphenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
PubChem CID19443022
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name5-methyl-4-[(2-methylphenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccccc1OCc1c(C(=O)Nc2cccc(CN3CCOCC3)c2)noc1C
InChIInChI=1S/C24H27N3O4/c1-17-6-3-4-9-22(17)30-16-21-18(2)31-26-23(21)24(28)25-20-8-5-7-19(14-20)15-27-10-12-29-13-11-27/h3-9,14H,10-13,15-16H2,1-2H3,(H,25,28)
InChIKeyRYQUGGSUKNPFHF-UHFFFAOYSA-N
XLogP3.95
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2,3-dimethylphenoxy)methyl]-5-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 19490520
4-[(2,4-difluorophenoxy)methyl]-5-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 19483962
[4-[(3-bromophenyl)methyl]piperazin-1-yl]-[5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 19443140
4-[(2,3-dimethylphenoxy)methyl]-N-(3-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19490451
4-[(2-chlorophenoxy)methyl]-5-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 19443427
N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19443080
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-[(2-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19490246
N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-[(2,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19444797
N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19484261
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19442921
N-(4-methoxyphenyl)-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19443003
N-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-[(2-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443431

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(2-methylphenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-4-[(2-methylphenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide (CID 19443022) is 5-methyl-4-[(2-methylphenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-4-[(2-methylphenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-4-[(2-methylphenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide is Cc1ccccc1OCc1c(C(=O)Nc2cccc(CN3CCOCC3)c2)noc1C.
What is the InChIKey of 5-methyl-4-[(2-methylphenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is RYQUGGSUKNPFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-17-6-3-4-9-22(17)30-16-21-18(2)31-26-23(21)24(28)25-20-8-5-7-19(14-20)15-27-10-12-29-13-11-27/h3-9,14H,10-13,15-16H2,1-2H3,(H,25,28).
What are the key properties of 5-methyl-4-[(2-methylphenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide?
5-methyl-4-[(2-methylphenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(2-methylphenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19443022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).