5-amino-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide

C11H11N3O2 — CID 11543063

IUPAC5-amino-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(N)=O)c(N)o2)cc1
InChIInChI=1S/C11H11N3O2/c1-6-2-4-7(5-3-6)11-14-8(9(12)15)10(13)16-11/h2-5H,13H2,1H3,(H2,12,15)
InChIKeyRSMHDVYJLCPVNY-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.33
Rot. Bonds2

About 5-amino-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide

5-amino-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 11543063) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 5-amino-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide
PubChem CID11543063
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name5-amino-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(N)=O)c(N)o2)cc1
InChIInChI=1S/C11H11N3O2/c1-6-2-4-7(5-3-6)11-14-8(9(12)15)10(13)16-11/h2-5H,13H2,1H3,(H2,12,15)
InChIKeyRSMHDVYJLCPVNY-UHFFFAOYSA-N
XLogP1.33
TPSA95.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-amino-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide (CID 11543063) is 5-amino-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-amino-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-amino-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide is Cc1ccc(-c2nc(C(N)=O)c(N)o2)cc1.
What is the InChIKey of 5-amino-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is RSMHDVYJLCPVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-6-2-4-7(5-3-6)11-14-8(9(12)15)10(13)16-11/h2-5H,13H2,1H3,(H2,12,15).
What are the key properties of 5-amino-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide?
5-amino-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 217.23 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 11543063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).