1-[4-[2-[[1-(2-ethoxyethyl)-3-methylpyrazol-4-yl]amino]-1,3-oxazol-5-yl]phenyl]imidazolidin-2-one

C20H24N6O3 — CID 171836251

IUPAC1-[4-[2-[[1-(2-ethoxyethyl)-3-methylpyrazol-4-yl]amino]-1,3-oxazol-5-yl]phenyl]imidazolidin-2-one
SMILESCCOCCn1cc(Nc2ncc(-c3ccc(N4CCNC4=O)cc3)o2)c(C)n1
InChIInChI=1S/C20H24N6O3/c1-3-28-11-10-25-13-17(14(2)24-25)23-19-22-12-18(29-19)15-4-6-16(7-5-15)26-9-8-21-20(26)27/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,27)(H,22,23)
InChIKeyNJDCHHHVKFDZQT-UHFFFAOYSA-N
MW396.45 g/mol
LogP3.16
Rot. Bonds8

About 1-[4-[2-[[1-(2-ethoxyethyl)-3-methylpyrazol-4-yl]amino]-1,3-oxazol-5-yl]phenyl]imidazolidin-2-one

1-[4-[2-[[1-(2-ethoxyethyl)-3-methylpyrazol-4-yl]amino]-1,3-oxazol-5-yl]phenyl]imidazolidin-2-one (PubChem CID 171836251) has the molecular formula C20H24N6O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is 1-[4-[2-[[1-(2-ethoxyethyl)-3-methylpyrazol-4-yl]amino]-1,3-oxazol-5-yl]phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[4-[2-[[1-(2-ethoxyethyl)-3-methylpyrazol-4-yl]amino]-1,3-oxazol-5-yl]phenyl]imidazolidin-2-one
PubChem CID171836251
Molecular FormulaC20H24N6O3
Molecular Weight396.45 g/mol
Exact Mass396.19
IUPAC Name1-[4-[2-[[1-(2-ethoxyethyl)-3-methylpyrazol-4-yl]amino]-1,3-oxazol-5-yl]phenyl]imidazolidin-2-one
SMILESCCOCCn1cc(Nc2ncc(-c3ccc(N4CCNC4=O)cc3)o2)c(C)n1
InChIInChI=1S/C20H24N6O3/c1-3-28-11-10-25-13-17(14(2)24-25)23-19-22-12-18(29-19)15-4-6-16(7-5-15)26-9-8-21-20(26)27/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,27)(H,22,23)
InChIKeyNJDCHHHVKFDZQT-UHFFFAOYSA-N
XLogP3.16
TPSA97.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[5-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-methylphenyl]imidazolidin-2-one
CID 71243653
1-[3-methoxy-5-[2-[5-(3-methoxypropoxy)-2-methylanilino]-1,3-oxazol-5-yl]phenyl]imidazolidin-2-one
CID 71243597
N-[1-(2-ethoxyethyl)pyrazol-4-yl]-5-(4-iodophenyl)-1,3-oxazol-2-amine
CID 171836214
1-[4-[4-[[1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one
CID 171836241
1-tert-butyl-3-[4-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-pyridinyl]imidazolidin-2-one
CID 71243517
(5R)-1-[5-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-pyridinyl]-5-methylimidazolidin-2-one
CID 122446187
N-[3,5-bis(ethoxymethyl)phenyl]-5-(4-pyrazol-1-ylphenyl)-1,3-oxazol-2-amine
CID 122444679
1-[3-[2-[[5-(ethoxymethyl)-2-methylphenyl]methyl]-1,3-oxazol-5-yl]-5-methylphenyl]imidazolidin-2-one
CID 153120513
methane;1-(4-methylphenyl)imidazolidin-2-one
CID 143511114
N-[2-methyl-5-(2-morpholin-4-ylethoxy)phenyl]-5-(4-pyrazol-1-ylphenyl)-1,3-oxazol-2-amine
CID 122444638
1-[5-[2-[[5-(ethoxymethyl)-2-methylphenyl]methyl]-1,3-oxazol-5-yl]-2-methylphenyl]imidazolidin-2-one
CID 157211390
3-[4-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-pyridinyl]-5-methyl-1H-imidazol-2-one
CID 71243547

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[[1-(2-ethoxyethyl)-3-methylpyrazol-4-yl]amino]-1,3-oxazol-5-yl]phenyl]imidazolidin-2-one?
The IUPAC name of 1-[4-[2-[[1-(2-ethoxyethyl)-3-methylpyrazol-4-yl]amino]-1,3-oxazol-5-yl]phenyl]imidazolidin-2-one (CID 171836251) is 1-[4-[2-[[1-(2-ethoxyethyl)-3-methylpyrazol-4-yl]amino]-1,3-oxazol-5-yl]phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[4-[2-[[1-(2-ethoxyethyl)-3-methylpyrazol-4-yl]amino]-1,3-oxazol-5-yl]phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[4-[2-[[1-(2-ethoxyethyl)-3-methylpyrazol-4-yl]amino]-1,3-oxazol-5-yl]phenyl]imidazolidin-2-one is CCOCCn1cc(Nc2ncc(-c3ccc(N4CCNC4=O)cc3)o2)c(C)n1.
What is the InChIKey of 1-[4-[2-[[1-(2-ethoxyethyl)-3-methylpyrazol-4-yl]amino]-1,3-oxazol-5-yl]phenyl]imidazolidin-2-one?
The InChIKey is NJDCHHHVKFDZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3/c1-3-28-11-10-25-13-17(14(2)24-25)23-19-22-12-18(29-19)15-4-6-16(7-5-15)26-9-8-21-20(26)27/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,27)(H,22,23).
What are the key properties of 1-[4-[2-[[1-(2-ethoxyethyl)-3-methylpyrazol-4-yl]amino]-1,3-oxazol-5-yl]phenyl]imidazolidin-2-one?
1-[4-[2-[[1-(2-ethoxyethyl)-3-methylpyrazol-4-yl]amino]-1,3-oxazol-5-yl]phenyl]imidazolidin-2-one has a molecular weight of 396.45 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[[1-(2-ethoxyethyl)-3-methylpyrazol-4-yl]amino]-1,3-oxazol-5-yl]phenyl]imidazolidin-2-one is sourced from PubChem (CID 171836251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).