N-(3-methyl-1,2-oxazol-5-yl)-5-phenyl-1,3-oxazole-2-carboxamide

C14H11N3O3 — CID 16949720

IUPACN-(3-methyl-1,2-oxazol-5-yl)-5-phenyl-1,3-oxazole-2-carboxamide
SMILESCc1cc(NC(=O)c2ncc(-c3ccccc3)o2)on1
InChIInChI=1S/C14H11N3O3/c1-9-7-12(20-17-9)16-13(18)14-15-8-11(19-14)10-5-3-2-4-6-10/h2-8H,1H3,(H,16,18)
InChIKeyAROHDNDRIHBESG-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.89
Rot. Bonds3

About N-(3-methyl-1,2-oxazol-5-yl)-5-phenyl-1,3-oxazole-2-carboxamide

N-(3-methyl-1,2-oxazol-5-yl)-5-phenyl-1,3-oxazole-2-carboxamide (PubChem CID 16949720) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is N-(3-methyl-1,2-oxazol-5-yl)-5-phenyl-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-1,2-oxazol-5-yl)-5-phenyl-1,3-oxazole-2-carboxamide
PubChem CID16949720
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC NameN-(3-methyl-1,2-oxazol-5-yl)-5-phenyl-1,3-oxazole-2-carboxamide
SMILESCc1cc(NC(=O)c2ncc(-c3ccccc3)o2)on1
InChIInChI=1S/C14H11N3O3/c1-9-7-12(20-17-9)16-13(18)14-15-8-11(19-14)10-5-3-2-4-6-10/h2-8H,1H3,(H,16,18)
InChIKeyAROHDNDRIHBESG-UHFFFAOYSA-N
XLogP2.89
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,2-oxazol-5-yl)-5-phenyl-1,3-oxazole-2-carboxamide?
The IUPAC name of N-(3-methyl-1,2-oxazol-5-yl)-5-phenyl-1,3-oxazole-2-carboxamide (CID 16949720) is N-(3-methyl-1,2-oxazol-5-yl)-5-phenyl-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-(3-methyl-1,2-oxazol-5-yl)-5-phenyl-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-(3-methyl-1,2-oxazol-5-yl)-5-phenyl-1,3-oxazole-2-carboxamide is Cc1cc(NC(=O)c2ncc(-c3ccccc3)o2)on1.
What is the InChIKey of N-(3-methyl-1,2-oxazol-5-yl)-5-phenyl-1,3-oxazole-2-carboxamide?
The InChIKey is AROHDNDRIHBESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c1-9-7-12(20-17-9)16-13(18)14-15-8-11(19-14)10-5-3-2-4-6-10/h2-8H,1H3,(H,16,18).
What are the key properties of N-(3-methyl-1,2-oxazol-5-yl)-5-phenyl-1,3-oxazole-2-carboxamide?
N-(3-methyl-1,2-oxazol-5-yl)-5-phenyl-1,3-oxazole-2-carboxamide has a molecular weight of 269.26 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,2-oxazol-5-yl)-5-phenyl-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 16949720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).