5-methyl-N-morpholin-4-yl-3-phenyl-1,2-oxazole-4-carboxamide

C15H17N3O3 — CID 539730

IUPAC5-methyl-N-morpholin-4-yl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)NN1CCOCC1
InChIInChI=1S/C15H17N3O3/c1-11-13(15(19)16-18-7-9-20-10-8-18)14(17-21-11)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H,16,19)
InChIKeyNYVUAPWQJLYETO-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.63
Rot. Bonds3

About 5-methyl-N-morpholin-4-yl-3-phenyl-1,2-oxazole-4-carboxamide

5-methyl-N-morpholin-4-yl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 539730) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 5-methyl-N-morpholin-4-yl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-morpholin-4-yl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID539730
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name5-methyl-N-morpholin-4-yl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)NN1CCOCC1
InChIInChI=1S/C15H17N3O3/c1-11-13(15(19)16-18-7-9-20-10-8-18)14(17-21-11)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H,16,19)
InChIKeyNYVUAPWQJLYETO-UHFFFAOYSA-N
XLogP1.63
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-morpholin-4-yl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-morpholin-4-yl-3-phenyl-1,2-oxazole-4-carboxamide (CID 539730) is 5-methyl-N-morpholin-4-yl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-morpholin-4-yl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-morpholin-4-yl-3-phenyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)NN1CCOCC1.
What is the InChIKey of 5-methyl-N-morpholin-4-yl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is NYVUAPWQJLYETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-11-13(15(19)16-18-7-9-20-10-8-18)14(17-21-11)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H,16,19).
What are the key properties of 5-methyl-N-morpholin-4-yl-3-phenyl-1,2-oxazole-4-carboxamide?
5-methyl-N-morpholin-4-yl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-morpholin-4-yl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 539730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).