1-[3-methoxy-5-[2-[5-(3-methoxypropoxy)-2-methylanilino]-1,3-oxazol-5-yl]phenyl]imidazolidin-2-one

C24H28N4O5 — CID 71243597

IUPAC1-[3-methoxy-5-[2-[5-(3-methoxypropoxy)-2-methylanilino]-1,3-oxazol-5-yl]phenyl]imidazolidin-2-one
SMILESCOCCCOc1ccc(C)c(Nc2ncc(-c3cc(OC)cc(N4CCNC4=O)c3)o2)c1
InChIInChI=1S/C24H28N4O5/c1-16-5-6-19(32-10-4-9-30-2)14-21(16)27-23-26-15-22(33-23)17-11-18(13-20(12-17)31-3)28-8-7-25-24(28)29/h5-6,11-15H,4,7-10H2,1-3H3,(H,25,29)(H,26,27)
InChIKeyRBXWBQNJJLWZNW-UHFFFAOYSA-N
MW452.51 g/mol
LogP4.35
Rot. Bonds10

About 1-[3-methoxy-5-[2-[5-(3-methoxypropoxy)-2-methylanilino]-1,3-oxazol-5-yl]phenyl]imidazolidin-2-one

1-[3-methoxy-5-[2-[5-(3-methoxypropoxy)-2-methylanilino]-1,3-oxazol-5-yl]phenyl]imidazolidin-2-one (PubChem CID 71243597) has the molecular formula C24H28N4O5 and a molecular weight of 452.51 g/mol. Its IUPAC name is 1-[3-methoxy-5-[2-[5-(3-methoxypropoxy)-2-methylanilino]-1,3-oxazol-5-yl]phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-methoxy-5-[2-[5-(3-methoxypropoxy)-2-methylanilino]-1,3-oxazol-5-yl]phenyl]imidazolidin-2-one
PubChem CID71243597
Molecular FormulaC24H28N4O5
Molecular Weight452.51 g/mol
Exact Mass452.21
IUPAC Name1-[3-methoxy-5-[2-[5-(3-methoxypropoxy)-2-methylanilino]-1,3-oxazol-5-yl]phenyl]imidazolidin-2-one
SMILESCOCCCOc1ccc(C)c(Nc2ncc(-c3cc(OC)cc(N4CCNC4=O)c3)o2)c1
InChIInChI=1S/C24H28N4O5/c1-16-5-6-19(32-10-4-9-30-2)14-21(16)27-23-26-15-22(33-23)17-11-18(13-20(12-17)31-3)28-8-7-25-24(28)29/h5-6,11-15H,4,7-10H2,1-3H3,(H,25,29)(H,26,27)
InChIKeyRBXWBQNJJLWZNW-UHFFFAOYSA-N
XLogP4.35
TPSA98.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 54.35
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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Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-5-[2-[5-(3-methoxypropoxy)-2-methylanilino]-1,3-oxazol-5-yl]phenyl]imidazolidin-2-one?
The IUPAC name of 1-[3-methoxy-5-[2-[5-(3-methoxypropoxy)-2-methylanilino]-1,3-oxazol-5-yl]phenyl]imidazolidin-2-one (CID 71243597) is 1-[3-methoxy-5-[2-[5-(3-methoxypropoxy)-2-methylanilino]-1,3-oxazol-5-yl]phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[3-methoxy-5-[2-[5-(3-methoxypropoxy)-2-methylanilino]-1,3-oxazol-5-yl]phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[3-methoxy-5-[2-[5-(3-methoxypropoxy)-2-methylanilino]-1,3-oxazol-5-yl]phenyl]imidazolidin-2-one is COCCCOc1ccc(C)c(Nc2ncc(-c3cc(OC)cc(N4CCNC4=O)c3)o2)c1.
What is the InChIKey of 1-[3-methoxy-5-[2-[5-(3-methoxypropoxy)-2-methylanilino]-1,3-oxazol-5-yl]phenyl]imidazolidin-2-one?
The InChIKey is RBXWBQNJJLWZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O5/c1-16-5-6-19(32-10-4-9-30-2)14-21(16)27-23-26-15-22(33-23)17-11-18(13-20(12-17)31-3)28-8-7-25-24(28)29/h5-6,11-15H,4,7-10H2,1-3H3,(H,25,29)(H,26,27).
What are the key properties of 1-[3-methoxy-5-[2-[5-(3-methoxypropoxy)-2-methylanilino]-1,3-oxazol-5-yl]phenyl]imidazolidin-2-one?
1-[3-methoxy-5-[2-[5-(3-methoxypropoxy)-2-methylanilino]-1,3-oxazol-5-yl]phenyl]imidazolidin-2-one has a molecular weight of 452.51 g/mol, XLogP of 4.35, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-5-[2-[5-(3-methoxypropoxy)-2-methylanilino]-1,3-oxazol-5-yl]phenyl]imidazolidin-2-one is sourced from PubChem (CID 71243597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).