N-(3-amino-2,2-difluoropropyl)-5-methyl-1,2-oxazole-4-carboxamide

C8H11F2N3O2 — CID 114383672

IUPACN-(3-amino-2,2-difluoropropyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)NCC(F)(F)CN
InChIInChI=1S/C8H11F2N3O2/c1-5-6(2-13-15-5)7(14)12-4-8(9,10)3-11/h2H,3-4,11H2,1H3,(H,12,14)
InChIKeyGLQOYDPXQBTAES-UHFFFAOYSA-N
MW219.19 g/mol
LogP0.31
Rot. Bonds4

About N-(3-amino-2,2-difluoropropyl)-5-methyl-1,2-oxazole-4-carboxamide

N-(3-amino-2,2-difluoropropyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 114383672) has the molecular formula C8H11F2N3O2 and a molecular weight of 219.19 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID114383672
Molecular FormulaC8H11F2N3O2
Molecular Weight219.19 g/mol
Exact Mass219.08
IUPAC NameN-(3-amino-2,2-difluoropropyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)NCC(F)(F)CN
InChIInChI=1S/C8H11F2N3O2/c1-5-6(2-13-15-5)7(14)12-4-8(9,10)3-11/h2H,3-4,11H2,1H3,(H,12,14)
InChIKeyGLQOYDPXQBTAES-UHFFFAOYSA-N
XLogP0.31
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 114383672) is N-(3-amino-2,2-difluoropropyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)NCC(F)(F)CN.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is GLQOYDPXQBTAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O2/c1-5-6(2-13-15-5)7(14)12-4-8(9,10)3-11/h2H,3-4,11H2,1H3,(H,12,14).
What are the key properties of N-(3-amino-2,2-difluoropropyl)-5-methyl-1,2-oxazole-4-carboxamide?
N-(3-amino-2,2-difluoropropyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 219.19 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 114383672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).