3-(2,5-difluorophenyl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C15H13F2N3O3 — CID 56788132

IUPAC3-(2,5-difluorophenyl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1noc(C)c1NC(=O)C1CC(c2cc(F)ccc2F)=NO1
InChIInChI=1S/C15H13F2N3O3/c1-7-14(8(2)22-19-7)18-15(21)13-6-12(20-23-13)10-5-9(16)3-4-11(10)17/h3-5,13H,6H2,1-2H3,(H,18,21)
InChIKeyUMILRCXDPFVHBI-UHFFFAOYSA-N
MW321.28 g/mol
LogP2.70
Rot. Bonds3

About 3-(2,5-difluorophenyl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(2,5-difluorophenyl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 56788132) has the molecular formula C15H13F2N3O3 and a molecular weight of 321.28 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID56788132
Molecular FormulaC15H13F2N3O3
Molecular Weight321.28 g/mol
Exact Mass321.09
IUPAC Name3-(2,5-difluorophenyl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1noc(C)c1NC(=O)C1CC(c2cc(F)ccc2F)=NO1
InChIInChI=1S/C15H13F2N3O3/c1-7-14(8(2)22-19-7)18-15(21)13-6-12(20-23-13)10-5-9(16)3-4-11(10)17/h3-5,13H,6H2,1-2H3,(H,18,21)
InChIKeyUMILRCXDPFVHBI-UHFFFAOYSA-N
XLogP2.70
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.28
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(2,5-difluorophenyl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 56788132) is 3-(2,5-difluorophenyl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(2,5-difluorophenyl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(2,5-difluorophenyl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is Cc1noc(C)c1NC(=O)C1CC(c2cc(F)ccc2F)=NO1.
What is the InChIKey of 3-(2,5-difluorophenyl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is UMILRCXDPFVHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3O3/c1-7-14(8(2)22-19-7)18-15(21)13-6-12(20-23-13)10-5-9(16)3-4-11(10)17/h3-5,13H,6H2,1-2H3,(H,18,21).
What are the key properties of 3-(2,5-difluorophenyl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(2,5-difluorophenyl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 321.28 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 56788132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).