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

C16H16FN3O2S — CID 45168371

IUPACN-[[3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCC2CC(Cc3cccc(F)c3)=NO2)cs1
InChIInChI=1S/C16H16FN3O2S/c1-10-19-15(9-23-10)16(21)18-8-14-7-13(20-22-14)6-11-3-2-4-12(17)5-11/h2-5,9,14H,6-8H2,1H3,(H,18,21)
InChIKeyPNGCHVRQKQYHKL-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.71
Rot. Bonds5

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

N-[[3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 45168371) has the molecular formula C16H16FN3O2S and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[[3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID45168371
Molecular FormulaC16H16FN3O2S
Molecular Weight333.39 g/mol
Exact Mass333.09
IUPAC NameN-[[3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCC2CC(Cc3cccc(F)c3)=NO2)cs1
InChIInChI=1S/C16H16FN3O2S/c1-10-19-15(9-23-10)16(21)18-8-14-7-13(20-22-14)6-11-3-2-4-12(17)5-11/h2-5,9,14H,6-8H2,1H3,(H,18,21)
InChIKeyPNGCHVRQKQYHKL-UHFFFAOYSA-N
XLogP2.71
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide (CID 45168371) is N-[[3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NCC2CC(Cc3cccc(F)c3)=NO2)cs1.
What is the InChIKey of N-[[3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is PNGCHVRQKQYHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2S/c1-10-19-15(9-23-10)16(21)18-8-14-7-13(20-22-14)6-11-3-2-4-12(17)5-11/h2-5,9,14H,6-8H2,1H3,(H,18,21).
What are the key properties of N-[[3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide?
N-[[3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 45168371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).