1-[3-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-5-methoxyphenyl]-5-methylimidazolidin-2-one

C24H28N4O4 — CID 71240393

IUPAC1-[3-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-5-methoxyphenyl]-5-methylimidazolidin-2-one
SMILESCCOCc1ccc(C)c(Nc2ncc(-c3cc(OC)cc(N4C(=O)NCC4C)c3)o2)c1
InChIInChI=1S/C24H28N4O4/c1-5-31-14-17-7-6-15(2)21(8-17)27-23-25-13-22(32-23)18-9-19(11-20(10-18)30-4)28-16(3)12-26-24(28)29/h6-11,13,16H,5,12,14H2,1-4H3,(H,25,27)(H,26,29)
InChIKeySJVOFHBDNKJNOL-UHFFFAOYSA-N
MW436.51 g/mol
LogP4.86
Rot. Bonds8

About 1-[3-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-5-methoxyphenyl]-5-methylimidazolidin-2-one

1-[3-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-5-methoxyphenyl]-5-methylimidazolidin-2-one (PubChem CID 71240393) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is 1-[3-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-5-methoxyphenyl]-5-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[3-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-5-methoxyphenyl]-5-methylimidazolidin-2-one
PubChem CID71240393
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Name1-[3-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-5-methoxyphenyl]-5-methylimidazolidin-2-one
SMILESCCOCc1ccc(C)c(Nc2ncc(-c3cc(OC)cc(N4C(=O)NCC4C)c3)o2)c1
InChIInChI=1S/C24H28N4O4/c1-5-31-14-17-7-6-15(2)21(8-17)27-23-25-13-22(32-23)18-9-19(11-20(10-18)30-4)28-16(3)12-26-24(28)29/h6-11,13,16H,5,12,14H2,1-4H3,(H,25,27)(H,26,29)
InChIKeySJVOFHBDNKJNOL-UHFFFAOYSA-N
XLogP4.86
TPSA88.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(5R)-1-[5-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-pyridinyl]-5-methylimidazolidin-2-one
CID 122446187
1-[5-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-methylphenyl]imidazolidin-2-one
CID 71243653
3-[4-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-pyridinyl]-5-methyl-1H-imidazol-2-one
CID 71243547
3-[4-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-pyridinyl]-1H-imidazol-2-one
CID 90233380
1-tert-butyl-3-[4-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-pyridinyl]imidazolidin-2-one
CID 71243517
1-[3-methoxy-5-[2-[5-(3-methoxypropoxy)-2-methylanilino]-1,3-oxazol-5-yl]phenyl]imidazolidin-2-one
CID 71243597
1-[4-[2-[5-(methoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-pyridinyl]-4-methylimidazolidin-2-one
CID 71239703
5-[4-[amino-[(Z)-2-aminoethenyl]amino]phenyl]-N-[5-(ethoxymethyl)-2-methylphenyl]-1,3-oxazol-2-amine
CID 145132851
3-[5-[2-[5-(methoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-3-pyridinyl]-1H-imidazol-2-one;hydrochloride
CID 118936688
4-methyl-1-[3-methyl-5-[2-[2-methyl-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]phenyl]imidazolidin-2-one
CID 71243555
1-[3-[2-[[5-(ethoxymethyl)-2-methylphenyl]methyl]-1,3-oxazol-5-yl]-5-methylphenyl]imidazolidin-2-one
CID 153120513
N-[3,5-bis(ethoxymethyl)phenyl]-5-(4-pyrazol-1-ylphenyl)-1,3-oxazol-2-amine
CID 122444679

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-5-methoxyphenyl]-5-methylimidazolidin-2-one?
The IUPAC name of 1-[3-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-5-methoxyphenyl]-5-methylimidazolidin-2-one (CID 71240393) is 1-[3-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-5-methoxyphenyl]-5-methylimidazolidin-2-one.
What is the SMILES notation for 1-[3-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-5-methoxyphenyl]-5-methylimidazolidin-2-one?
The canonical SMILES for 1-[3-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-5-methoxyphenyl]-5-methylimidazolidin-2-one is CCOCc1ccc(C)c(Nc2ncc(-c3cc(OC)cc(N4C(=O)NCC4C)c3)o2)c1.
What is the InChIKey of 1-[3-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-5-methoxyphenyl]-5-methylimidazolidin-2-one?
The InChIKey is SJVOFHBDNKJNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-5-31-14-17-7-6-15(2)21(8-17)27-23-25-13-22(32-23)18-9-19(11-20(10-18)30-4)28-16(3)12-26-24(28)29/h6-11,13,16H,5,12,14H2,1-4H3,(H,25,27)(H,26,29).
What are the key properties of 1-[3-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-5-methoxyphenyl]-5-methylimidazolidin-2-one?
1-[3-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-5-methoxyphenyl]-5-methylimidazolidin-2-one has a molecular weight of 436.51 g/mol, XLogP of 4.86, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-5-methoxyphenyl]-5-methylimidazolidin-2-one is sourced from PubChem (CID 71240393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).