3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[[2-(3-methoxypropyl)phenyl]methyl]imidazolidine-2,4-dione

C23H27N5O4 — CID 71029635

IUPAC3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[[2-(3-methoxypropyl)phenyl]methyl]imidazolidine-2,4-dione
SMILESCOCCCc1ccccc1CN1CC(=O)N(c2cnn(Cc3c(C)noc3C)c2)C1=O
InChIInChI=1S/C23H27N5O4/c1-16-21(17(2)32-25-16)14-27-13-20(11-24-27)28-22(29)15-26(23(28)30)12-19-8-5-4-7-18(19)9-6-10-31-3/h4-5,7-8,11,13H,6,9-10,12,14-15H2,1-3H3
InChIKeyFPAQMBFUPKGCPV-UHFFFAOYSA-N
MW437.50 g/mol
LogP3.08
Rot. Bonds9

About 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[[2-(3-methoxypropyl)phenyl]methyl]imidazolidine-2,4-dione

3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[[2-(3-methoxypropyl)phenyl]methyl]imidazolidine-2,4-dione (PubChem CID 71029635) has the molecular formula C23H27N5O4 and a molecular weight of 437.50 g/mol. Its IUPAC name is 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[[2-(3-methoxypropyl)phenyl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[[2-(3-methoxypropyl)phenyl]methyl]imidazolidine-2,4-dione
PubChem CID71029635
Molecular FormulaC23H27N5O4
Molecular Weight437.50 g/mol
Exact Mass437.21
IUPAC Name3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[[2-(3-methoxypropyl)phenyl]methyl]imidazolidine-2,4-dione
SMILESCOCCCc1ccccc1CN1CC(=O)N(c2cnn(Cc3c(C)noc3C)c2)C1=O
InChIInChI=1S/C23H27N5O4/c1-16-21(17(2)32-25-16)14-27-13-20(11-24-27)28-22(29)15-26(23(28)30)12-19-8-5-4-7-18(19)9-6-10-31-3/h4-5,7-8,11,13H,6,9-10,12,14-15H2,1-3H3
InChIKeyFPAQMBFUPKGCPV-UHFFFAOYSA-N
XLogP3.08
TPSA93.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[[2-(3-methoxypropyl)phenyl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[[2-(3-methoxypropyl)phenyl]methyl]imidazolidine-2,4-dione (CID 71029635) is 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[[2-(3-methoxypropyl)phenyl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[[2-(3-methoxypropyl)phenyl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[[2-(3-methoxypropyl)phenyl]methyl]imidazolidine-2,4-dione is COCCCc1ccccc1CN1CC(=O)N(c2cnn(Cc3c(C)noc3C)c2)C1=O.
What is the InChIKey of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[[2-(3-methoxypropyl)phenyl]methyl]imidazolidine-2,4-dione?
The InChIKey is FPAQMBFUPKGCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O4/c1-16-21(17(2)32-25-16)14-27-13-20(11-24-27)28-22(29)15-26(23(28)30)12-19-8-5-4-7-18(19)9-6-10-31-3/h4-5,7-8,11,13H,6,9-10,12,14-15H2,1-3H3.
What are the key properties of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[[2-(3-methoxypropyl)phenyl]methyl]imidazolidine-2,4-dione?
3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[[2-(3-methoxypropyl)phenyl]methyl]imidazolidine-2,4-dione has a molecular weight of 437.50 g/mol, XLogP of 3.08, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[[2-(3-methoxypropyl)phenyl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 71029635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).