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

C19H17N5O3 — CID 57462266

IUPAC(5E)-5-benzylidene-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione
SMILESCc1noc(C)c1Cn1cc(N2C(=O)N/C(=C/c3ccccc3)C2=O)cn1
InChIInChI=1S/C19H17N5O3/c1-12-16(13(2)27-22-12)11-23-10-15(9-20-23)24-18(25)17(21-19(24)26)8-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,21,26)/b17-8+
InChIKeyDJPPRYDDGMSXON-CAOOACKPSA-N
MW363.38 g/mol
LogP2.63
Rot. Bonds4

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

(5E)-5-benzylidene-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione (PubChem CID 57462266) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is (5E)-5-benzylidene-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-benzylidene-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione
PubChem CID57462266
Molecular FormulaC19H17N5O3
Molecular Weight363.38 g/mol
Exact Mass363.13
IUPAC Name(5E)-5-benzylidene-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione
SMILESCc1noc(C)c1Cn1cc(N2C(=O)N/C(=C/c3ccccc3)C2=O)cn1
InChIInChI=1S/C19H17N5O3/c1-12-16(13(2)27-22-12)11-23-10-15(9-20-23)24-18(25)17(21-19(24)26)8-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,21,26)/b17-8+
InChIKeyDJPPRYDDGMSXON-CAOOACKPSA-N
XLogP2.63
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-benzylidene-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione?
The IUPAC name of (5E)-5-benzylidene-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione (CID 57462266) is (5E)-5-benzylidene-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-benzylidene-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-benzylidene-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione is Cc1noc(C)c1Cn1cc(N2C(=O)N/C(=C/c3ccccc3)C2=O)cn1.
What is the InChIKey of (5E)-5-benzylidene-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione?
The InChIKey is DJPPRYDDGMSXON-CAOOACKPSA-N. The full InChI is InChI=1S/C19H17N5O3/c1-12-16(13(2)27-22-12)11-23-10-15(9-20-23)24-18(25)17(21-19(24)26)8-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,21,26)/b17-8+.
What are the key properties of (5E)-5-benzylidene-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione?
(5E)-5-benzylidene-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione has a molecular weight of 363.38 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-benzylidene-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 57462266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).