[3-tert-butyl-4-[[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1,3-thiazol-2-yl]oxy]-2-fluorophenyl] carbamate

C19H19FN4O4S — CID 175104288

IUPAC[3-tert-butyl-4-[[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1,3-thiazol-2-yl]oxy]-2-fluorophenyl] carbamate
SMILESCC(C)(C)c1c(Oc2nc(-c3nnc(C4CC4)o3)cs2)ccc(OC(N)=O)c1F
InChIInChI=1S/C19H19FN4O4S/c1-19(2,3)13-11(6-7-12(14(13)20)26-17(21)25)27-18-22-10(8-29-18)16-24-23-15(28-16)9-4-5-9/h6-9H,4-5H2,1-3H3,(H2,21,25)
InChIKeyCCCWTXRTGVUCRB-UHFFFAOYSA-N
MW418.45 g/mol
LogP4.76
Rot. Bonds5

About [3-tert-butyl-4-[[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1,3-thiazol-2-yl]oxy]-2-fluorophenyl] carbamate

[3-tert-butyl-4-[[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1,3-thiazol-2-yl]oxy]-2-fluorophenyl] carbamate (PubChem CID 175104288) has the molecular formula C19H19FN4O4S and a molecular weight of 418.45 g/mol. Its IUPAC name is [3-tert-butyl-4-[[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1,3-thiazol-2-yl]oxy]-2-fluorophenyl] carbamate.

Molecular Properties

Compound Name[3-tert-butyl-4-[[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1,3-thiazol-2-yl]oxy]-2-fluorophenyl] carbamate
PubChem CID175104288
Molecular FormulaC19H19FN4O4S
Molecular Weight418.45 g/mol
Exact Mass418.11
IUPAC Name[3-tert-butyl-4-[[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1,3-thiazol-2-yl]oxy]-2-fluorophenyl] carbamate
SMILESCC(C)(C)c1c(Oc2nc(-c3nnc(C4CC4)o3)cs2)ccc(OC(N)=O)c1F
InChIInChI=1S/C19H19FN4O4S/c1-19(2,3)13-11(6-7-12(14(13)20)26-17(21)25)27-18-22-10(8-29-18)16-24-23-15(28-16)9-4-5-9/h6-9H,4-5H2,1-3H3,(H2,21,25)
InChIKeyCCCWTXRTGVUCRB-UHFFFAOYSA-N
XLogP4.76
TPSA113.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(2,4-difluorophenoxy)-N-[[4-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide
CID 98065544
4,5-dimethyl-N-[[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]thiophene-3-carboxamide
CID 98065276
methyl 4-[5-(4-piperidin-4-ylphenyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate
CID 22077371
4-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)benzoic acid
CID 63382223
2-(4-fluorophenyl)-5-piperidin-4-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid
CID 90043662
2-methoxy-N-[[4-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide
CID 98065511
N-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]-2-(4-fluorophenoxy)acetamide
CID 53163597
(4-fluorophenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 99963299
2-(4-tert-butylphenoxy)-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide
CID 98065363
methyl 2-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetate
CID 71227279
4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylpiperidine-1-carboxamide
CID 4605604
5-methyl-N-[[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]-1-benzofuran-2-carboxamide
CID 98065394

Frequently Asked Questions

What is the IUPAC name of [3-tert-butyl-4-[[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1,3-thiazol-2-yl]oxy]-2-fluorophenyl] carbamate?
The IUPAC name of [3-tert-butyl-4-[[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1,3-thiazol-2-yl]oxy]-2-fluorophenyl] carbamate (CID 175104288) is [3-tert-butyl-4-[[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1,3-thiazol-2-yl]oxy]-2-fluorophenyl] carbamate.
What is the SMILES notation for [3-tert-butyl-4-[[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1,3-thiazol-2-yl]oxy]-2-fluorophenyl] carbamate?
The canonical SMILES for [3-tert-butyl-4-[[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1,3-thiazol-2-yl]oxy]-2-fluorophenyl] carbamate is CC(C)(C)c1c(Oc2nc(-c3nnc(C4CC4)o3)cs2)ccc(OC(N)=O)c1F.
What is the InChIKey of [3-tert-butyl-4-[[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1,3-thiazol-2-yl]oxy]-2-fluorophenyl] carbamate?
The InChIKey is CCCWTXRTGVUCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O4S/c1-19(2,3)13-11(6-7-12(14(13)20)26-17(21)25)27-18-22-10(8-29-18)16-24-23-15(28-16)9-4-5-9/h6-9H,4-5H2,1-3H3,(H2,21,25).
What are the key properties of [3-tert-butyl-4-[[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1,3-thiazol-2-yl]oxy]-2-fluorophenyl] carbamate?
[3-tert-butyl-4-[[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1,3-thiazol-2-yl]oxy]-2-fluorophenyl] carbamate has a molecular weight of 418.45 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-tert-butyl-4-[[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1,3-thiazol-2-yl]oxy]-2-fluorophenyl] carbamate is sourced from PubChem (CID 175104288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).