2-(7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-4-yl)-N-[3-(1,1-difluoroethyl)phenyl]-5-methyl-1,3-oxazole-4-carboxamide

C20H15F2N3O2 — CID 155311133

IUPAC2-(7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-4-yl)-N-[3-(1,1-difluoroethyl)phenyl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2ccc3c(c2)=NC=3)nc1C(=O)Nc1cccc(C(C)(F)F)c1
InChIInChI=1S/C20H15F2N3O2/c1-11-17(18(26)24-15-5-3-4-14(9-15)20(2,21)22)25-19(27-11)12-6-7-13-10-23-16(13)8-12/h3-10H,1-2H3,(H,24,26)
InChIKeyFWOVIDBCGUUQND-UHFFFAOYSA-N
MW367.36 g/mol
LogP3.39
Rot. Bonds4

About 2-(7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-4-yl)-N-[3-(1,1-difluoroethyl)phenyl]-5-methyl-1,3-oxazole-4-carboxamide

2-(7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-4-yl)-N-[3-(1,1-difluoroethyl)phenyl]-5-methyl-1,3-oxazole-4-carboxamide (PubChem CID 155311133) has the molecular formula C20H15F2N3O2 and a molecular weight of 367.36 g/mol. Its IUPAC name is 2-(7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-4-yl)-N-[3-(1,1-difluoroethyl)phenyl]-5-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-4-yl)-N-[3-(1,1-difluoroethyl)phenyl]-5-methyl-1,3-oxazole-4-carboxamide
PubChem CID155311133
Molecular FormulaC20H15F2N3O2
Molecular Weight367.36 g/mol
Exact Mass367.11
IUPAC Name2-(7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-4-yl)-N-[3-(1,1-difluoroethyl)phenyl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2ccc3c(c2)=NC=3)nc1C(=O)Nc1cccc(C(C)(F)F)c1
InChIInChI=1S/C20H15F2N3O2/c1-11-17(18(26)24-15-5-3-4-14(9-15)20(2,21)22)25-19(27-11)12-6-7-13-10-23-16(13)8-12/h3-10H,1-2H3,(H,24,26)
InChIKeyFWOVIDBCGUUQND-UHFFFAOYSA-N
XLogP3.39
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-4-yl)-N-[3-(1,1-difluoroethyl)phenyl]-5-methyl-1,3-oxazole-4-carboxamide with MolForge

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Related Compounds

N-[3-(1,1-difluoroethyl)phenyl]-2-[4-(difluoromethoxy)-3-phenylphenyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 155287045
5-methyl-2-phenyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]-1,3-oxazole-4-carboxamide
CID 31888702
methyl 5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylate
CID 122477173
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7727233
3-tert-butyl-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
CID 110423356
N-(4-fluorophenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 17393566
2-[3-[[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carbonyl]amino]phenyl]acetic acid
CID 167932429
4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109050141
5-methyl-2-(3-methylphenyl)-N-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 122175359
2-methyl-5-phenyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 43854625
5-methyl-N-[3-(trifluoromethyl)phenyl]furo[3,2-b]pyridine-2-carboxamide
CID 16802381
5-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-phenyl-1,3-oxazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-(7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-4-yl)-N-[3-(1,1-difluoroethyl)phenyl]-5-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-4-yl)-N-[3-(1,1-difluoroethyl)phenyl]-5-methyl-1,3-oxazole-4-carboxamide (CID 155311133) is 2-(7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-4-yl)-N-[3-(1,1-difluoroethyl)phenyl]-5-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-4-yl)-N-[3-(1,1-difluoroethyl)phenyl]-5-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-4-yl)-N-[3-(1,1-difluoroethyl)phenyl]-5-methyl-1,3-oxazole-4-carboxamide is Cc1oc(-c2ccc3c(c2)=NC=3)nc1C(=O)Nc1cccc(C(C)(F)F)c1.
What is the InChIKey of 2-(7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-4-yl)-N-[3-(1,1-difluoroethyl)phenyl]-5-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is FWOVIDBCGUUQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N3O2/c1-11-17(18(26)24-15-5-3-4-14(9-15)20(2,21)22)25-19(27-11)12-6-7-13-10-23-16(13)8-12/h3-10H,1-2H3,(H,24,26).
What are the key properties of 2-(7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-4-yl)-N-[3-(1,1-difluoroethyl)phenyl]-5-methyl-1,3-oxazole-4-carboxamide?
2-(7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-4-yl)-N-[3-(1,1-difluoroethyl)phenyl]-5-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 367.36 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-4-yl)-N-[3-(1,1-difluoroethyl)phenyl]-5-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 155311133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).