(4,4-dimethyl-1,3-oxazolidin-3-yl)-(5-methyl-3-phenyl-1,2,4-triazol-1-yl)methanone

C15H18N4O2 — CID 142765835

IUPAC(4,4-dimethyl-1,3-oxazolidin-3-yl)-(5-methyl-3-phenyl-1,2,4-triazol-1-yl)methanone
SMILESCc1nc(-c2ccccc2)nn1C(=O)N1COCC1(C)C
InChIInChI=1S/C15H18N4O2/c1-11-16-13(12-7-5-4-6-8-12)17-19(11)14(20)18-10-21-9-15(18,2)3/h4-8H,9-10H2,1-3H3
InChIKeyFJGFOXJDYUMKMU-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.29
Rot. Bonds1

About (4,4-dimethyl-1,3-oxazolidin-3-yl)-(5-methyl-3-phenyl-1,2,4-triazol-1-yl)methanone

(4,4-dimethyl-1,3-oxazolidin-3-yl)-(5-methyl-3-phenyl-1,2,4-triazol-1-yl)methanone (PubChem CID 142765835) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is (4,4-dimethyl-1,3-oxazolidin-3-yl)-(5-methyl-3-phenyl-1,2,4-triazol-1-yl)methanone.

Molecular Properties

Compound Name(4,4-dimethyl-1,3-oxazolidin-3-yl)-(5-methyl-3-phenyl-1,2,4-triazol-1-yl)methanone
PubChem CID142765835
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name(4,4-dimethyl-1,3-oxazolidin-3-yl)-(5-methyl-3-phenyl-1,2,4-triazol-1-yl)methanone
SMILESCc1nc(-c2ccccc2)nn1C(=O)N1COCC1(C)C
InChIInChI=1S/C15H18N4O2/c1-11-16-13(12-7-5-4-6-8-12)17-19(11)14(20)18-10-21-9-15(18,2)3/h4-8H,9-10H2,1-3H3
InChIKeyFJGFOXJDYUMKMU-UHFFFAOYSA-N
XLogP2.29
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4,4-dimethyl-1,3-oxazolidin-3-yl)-(5-methyl-3-phenyl-1,2,4-triazol-1-yl)methanone?
The IUPAC name of (4,4-dimethyl-1,3-oxazolidin-3-yl)-(5-methyl-3-phenyl-1,2,4-triazol-1-yl)methanone (CID 142765835) is (4,4-dimethyl-1,3-oxazolidin-3-yl)-(5-methyl-3-phenyl-1,2,4-triazol-1-yl)methanone.
What is the SMILES notation for (4,4-dimethyl-1,3-oxazolidin-3-yl)-(5-methyl-3-phenyl-1,2,4-triazol-1-yl)methanone?
The canonical SMILES for (4,4-dimethyl-1,3-oxazolidin-3-yl)-(5-methyl-3-phenyl-1,2,4-triazol-1-yl)methanone is Cc1nc(-c2ccccc2)nn1C(=O)N1COCC1(C)C.
What is the InChIKey of (4,4-dimethyl-1,3-oxazolidin-3-yl)-(5-methyl-3-phenyl-1,2,4-triazol-1-yl)methanone?
The InChIKey is FJGFOXJDYUMKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-11-16-13(12-7-5-4-6-8-12)17-19(11)14(20)18-10-21-9-15(18,2)3/h4-8H,9-10H2,1-3H3.
What are the key properties of (4,4-dimethyl-1,3-oxazolidin-3-yl)-(5-methyl-3-phenyl-1,2,4-triazol-1-yl)methanone?
(4,4-dimethyl-1,3-oxazolidin-3-yl)-(5-methyl-3-phenyl-1,2,4-triazol-1-yl)methanone has a molecular weight of 286.33 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethyl-1,3-oxazolidin-3-yl)-(5-methyl-3-phenyl-1,2,4-triazol-1-yl)methanone is sourced from PubChem (CID 142765835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).