2-amino-N-[[3-(1,1-difluoroethyl)phenyl]methyl]-1,3-oxazole-5-carboxamide

C13H13F2N3O2 — CID 166387550

IUPAC2-amino-N-[[3-(1,1-difluoroethyl)phenyl]methyl]-1,3-oxazole-5-carboxamide
SMILESCC(F)(F)c1cccc(CNC(=O)c2cnc(N)o2)c1
InChIInChI=1S/C13H13F2N3O2/c1-13(14,15)9-4-2-3-8(5-9)6-17-11(19)10-7-18-12(16)20-10/h2-5,7H,6H2,1H3,(H2,16,18)(H,17,19)
InChIKeyJXOVMQQCUYIRPW-UHFFFAOYSA-N
MW281.26 g/mol
LogP2.30
Rot. Bonds4

About 2-amino-N-[[3-(1,1-difluoroethyl)phenyl]methyl]-1,3-oxazole-5-carboxamide

2-amino-N-[[3-(1,1-difluoroethyl)phenyl]methyl]-1,3-oxazole-5-carboxamide (PubChem CID 166387550) has the molecular formula C13H13F2N3O2 and a molecular weight of 281.26 g/mol. Its IUPAC name is 2-amino-N-[[3-(1,1-difluoroethyl)phenyl]methyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[[3-(1,1-difluoroethyl)phenyl]methyl]-1,3-oxazole-5-carboxamide
PubChem CID166387550
Molecular FormulaC13H13F2N3O2
Molecular Weight281.26 g/mol
Exact Mass281.10
IUPAC Name2-amino-N-[[3-(1,1-difluoroethyl)phenyl]methyl]-1,3-oxazole-5-carboxamide
SMILESCC(F)(F)c1cccc(CNC(=O)c2cnc(N)o2)c1
InChIInChI=1S/C13H13F2N3O2/c1-13(14,15)9-4-2-3-8(5-9)6-17-11(19)10-7-18-12(16)20-10/h2-5,7H,6H2,1H3,(H2,16,18)(H,17,19)
InChIKeyJXOVMQQCUYIRPW-UHFFFAOYSA-N
XLogP2.30
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 115330327
5-amino-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 43337163
2-amino-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 61265568
2-amino-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 16769465
2-(2-aminoethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3424318
1-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-[4-(hydroxymethyl)phenyl]urea
CID 167753162
2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxamide
CID 74246545
N-[(3-tert-butylphenyl)methyl]benzamide
CID 58788636
N-[[3-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide
CID 27515082
6-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 27009221
2-ethyl-5-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]furan-3-carboxylic acid
CID 120822190
N-[(3-methylphenyl)methyl]-2-phenyl-1,3-oxazole-5-carboxamide
CID 110681408

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[3-(1,1-difluoroethyl)phenyl]methyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-amino-N-[[3-(1,1-difluoroethyl)phenyl]methyl]-1,3-oxazole-5-carboxamide (CID 166387550) is 2-amino-N-[[3-(1,1-difluoroethyl)phenyl]methyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-[[3-(1,1-difluoroethyl)phenyl]methyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-amino-N-[[3-(1,1-difluoroethyl)phenyl]methyl]-1,3-oxazole-5-carboxamide is CC(F)(F)c1cccc(CNC(=O)c2cnc(N)o2)c1.
What is the InChIKey of 2-amino-N-[[3-(1,1-difluoroethyl)phenyl]methyl]-1,3-oxazole-5-carboxamide?
The InChIKey is JXOVMQQCUYIRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O2/c1-13(14,15)9-4-2-3-8(5-9)6-17-11(19)10-7-18-12(16)20-10/h2-5,7H,6H2,1H3,(H2,16,18)(H,17,19).
What are the key properties of 2-amino-N-[[3-(1,1-difluoroethyl)phenyl]methyl]-1,3-oxazole-5-carboxamide?
2-amino-N-[[3-(1,1-difluoroethyl)phenyl]methyl]-1,3-oxazole-5-carboxamide has a molecular weight of 281.26 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[3-(1,1-difluoroethyl)phenyl]methyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 166387550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).