N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1,2-oxazole-3-carboxamide

C9H9N3O3 — CID 75395398

IUPACN-[(5-methyl-1,3-oxazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1ocnc1CNC(=O)c1ccon1
InChIInChI=1S/C9H9N3O3/c1-6-8(11-5-14-6)4-10-9(13)7-2-3-15-12-7/h2-3,5H,4H2,1H3,(H,10,13)
InChIKeyDBIVBECEZPYYBZ-UHFFFAOYSA-N
MW207.19 g/mol
LogP0.90
Rot. Bonds3

About N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1,2-oxazole-3-carboxamide

N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 75395398) has the molecular formula C9H9N3O3 and a molecular weight of 207.19 g/mol. Its IUPAC name is N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(5-methyl-1,3-oxazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID75395398
Molecular FormulaC9H9N3O3
Molecular Weight207.19 g/mol
Exact Mass207.06
IUPAC NameN-[(5-methyl-1,3-oxazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1ocnc1CNC(=O)c1ccon1
InChIInChI=1S/C9H9N3O3/c1-6-8(11-5-14-6)4-10-9(13)7-2-3-15-12-7/h2-3,5H,4H2,1H3,(H,10,13)
InChIKeyDBIVBECEZPYYBZ-UHFFFAOYSA-N
XLogP0.90
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1,2-oxazole-3-carboxamide (CID 75395398) is N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1,2-oxazole-3-carboxamide is Cc1ocnc1CNC(=O)c1ccon1.
What is the InChIKey of N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is DBIVBECEZPYYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3/c1-6-8(11-5-14-6)4-10-9(13)7-2-3-15-12-7/h2-3,5H,4H2,1H3,(H,10,13).
What are the key properties of N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1,2-oxazole-3-carboxamide?
N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 207.19 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 75395398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).