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

C21H23N5O3 — CID 67096060

IUPAC(5R)-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methyl-1-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
SMILESCc1cccc(CN2C(=O)N(c3cnn(Cc4c(C)noc4C)c3)C(=O)[C@H]2C)c1
InChIInChI=1S/C21H23N5O3/c1-13-6-5-7-17(8-13)10-25-15(3)20(27)26(21(25)28)18-9-22-24(11-18)12-19-14(2)23-29-16(19)4/h5-9,11,15H,10,12H2,1-4H3/t15-/m1/s1
InChIKeyNPVOEUXKZDJDIF-OAHLLOKOSA-N
MW393.45 g/mol
LogP3.20
Rot. Bonds5

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

(5R)-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methyl-1-[(3-methylphenyl)methyl]imidazolidine-2,4-dione (PubChem CID 67096060) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is (5R)-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methyl-1-[(3-methylphenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methyl-1-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
PubChem CID67096060
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name(5R)-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methyl-1-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
SMILESCc1cccc(CN2C(=O)N(c3cnn(Cc4c(C)noc4C)c3)C(=O)[C@H]2C)c1
InChIInChI=1S/C21H23N5O3/c1-13-6-5-7-17(8-13)10-25-15(3)20(27)26(21(25)28)18-9-22-24(11-18)12-19-14(2)23-29-16(19)4/h5-9,11,15H,10,12H2,1-4H3/t15-/m1/s1
InChIKeyNPVOEUXKZDJDIF-OAHLLOKOSA-N
XLogP3.20
TPSA84.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methyl-1-[(3-methylphenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methyl-1-[(3-methylphenyl)methyl]imidazolidine-2,4-dione (CID 67096060) is (5R)-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methyl-1-[(3-methylphenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methyl-1-[(3-methylphenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methyl-1-[(3-methylphenyl)methyl]imidazolidine-2,4-dione is Cc1cccc(CN2C(=O)N(c3cnn(Cc4c(C)noc4C)c3)C(=O)[C@H]2C)c1.
What is the InChIKey of (5R)-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methyl-1-[(3-methylphenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is NPVOEUXKZDJDIF-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-13-6-5-7-17(8-13)10-25-15(3)20(27)26(21(25)28)18-9-22-24(11-18)12-19-14(2)23-29-16(19)4/h5-9,11,15H,10,12H2,1-4H3/t15-/m1/s1.
What are the key properties of (5R)-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methyl-1-[(3-methylphenyl)methyl]imidazolidine-2,4-dione?
(5R)-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methyl-1-[(3-methylphenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 393.45 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methyl-1-[(3-methylphenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 67096060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).