N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide

C15H14FN5O3S — CID 56757502

IUPACN-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide
SMILESCC(NC(=O)c1coc(COc2cccc(F)c2)n1)c1nnc(N)s1
InChIInChI=1S/C15H14FN5O3S/c1-8(14-20-21-15(17)25-14)18-13(22)11-6-24-12(19-11)7-23-10-4-2-3-9(16)5-10/h2-6,8H,7H2,1H3,(H2,17,21)(H,18,22)
InChIKeyJJCPNQPELFKMOG-UHFFFAOYSA-N
MW363.37 g/mol
LogP2.32
Rot. Bonds6

About N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide

N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide (PubChem CID 56757502) has the molecular formula C15H14FN5O3S and a molecular weight of 363.37 g/mol. Its IUPAC name is N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide
PubChem CID56757502
Molecular FormulaC15H14FN5O3S
Molecular Weight363.37 g/mol
Exact Mass363.08
IUPAC NameN-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide
SMILESCC(NC(=O)c1coc(COc2cccc(F)c2)n1)c1nnc(N)s1
InChIInChI=1S/C15H14FN5O3S/c1-8(14-20-21-15(17)25-14)18-13(22)11-6-24-12(19-11)7-23-10-4-2-3-9(16)5-10/h2-6,8H,7H2,1H3,(H2,17,21)(H,18,22)
InChIKeyJJCPNQPELFKMOG-UHFFFAOYSA-N
XLogP2.32
TPSA116.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(3-fluorophenoxy)methyl]-N-[(1R)-1-(2H-tetrazol-5-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 95205239
2-[(3-fluorophenoxy)methyl]-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
CID 26331295
2-[(3-fluorophenoxy)methyl]-N-[(3R,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide
CID 133131779
N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-[(3-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxamide
CID 42403951
N,N-diethyl-2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide
CID 26403838
2-[(3-fluorophenoxy)methyl]-N-[[(2S)-1-methylpiperidin-2-yl]methyl]-1,3-oxazole-4-carboxamide
CID 26411631
2-[(3-methoxyphenoxy)methyl]-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 42147972
N-[(1-ethylpyrazol-4-yl)methyl]-2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide
CID 42215285
N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-(quinolin-6-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 42518962
2-[(4-methoxyphenoxy)methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide
CID 42526219
N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 70705029
N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 96571087

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide (CID 56757502) is N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide is CC(NC(=O)c1coc(COc2cccc(F)c2)n1)c1nnc(N)s1.
What is the InChIKey of N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is JJCPNQPELFKMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5O3S/c1-8(14-20-21-15(17)25-14)18-13(22)11-6-24-12(19-11)7-23-10-4-2-3-9(16)5-10/h2-6,8H,7H2,1H3,(H2,17,21)(H,18,22).
What are the key properties of N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide?
N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 363.37 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 56757502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).