[2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-1,2-oxazol-4-yl]ethenyl]-4-methyl-1,3-thiazol-5-yl] N-cyclopropylcarbamate

C18H15FN4O3S — CID 122553209

IUPAC[2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-1,2-oxazol-4-yl]ethenyl]-4-methyl-1,3-thiazol-5-yl] N-cyclopropylcarbamate
SMILESCc1nc(/C=C/c2conc2-c2ccc(F)cn2)sc1OC(=O)NC1CC1
InChIInChI=1S/C18H15FN4O3S/c1-10-17(26-18(24)22-13-4-5-13)27-15(21-10)7-2-11-9-25-23-16(11)14-6-3-12(19)8-20-14/h2-3,6-9,13H,4-5H2,1H3,(H,22,24)/b7-2+
InChIKeyPHCLCEDXZVMXEL-FARCUNLSSA-N
MW386.41 g/mol
LogP4.06
Rot. Bonds5

About [2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-1,2-oxazol-4-yl]ethenyl]-4-methyl-1,3-thiazol-5-yl] N-cyclopropylcarbamate

[2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-1,2-oxazol-4-yl]ethenyl]-4-methyl-1,3-thiazol-5-yl] N-cyclopropylcarbamate (PubChem CID 122553209) has the molecular formula C18H15FN4O3S and a molecular weight of 386.41 g/mol. Its IUPAC name is [2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-1,2-oxazol-4-yl]ethenyl]-4-methyl-1,3-thiazol-5-yl] N-cyclopropylcarbamate.

Molecular Properties

Compound Name[2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-1,2-oxazol-4-yl]ethenyl]-4-methyl-1,3-thiazol-5-yl] N-cyclopropylcarbamate
PubChem CID122553209
Molecular FormulaC18H15FN4O3S
Molecular Weight386.41 g/mol
Exact Mass386.08
IUPAC Name[2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-1,2-oxazol-4-yl]ethenyl]-4-methyl-1,3-thiazol-5-yl] N-cyclopropylcarbamate
SMILESCc1nc(/C=C/c2conc2-c2ccc(F)cn2)sc1OC(=O)NC1CC1
InChIInChI=1S/C18H15FN4O3S/c1-10-17(26-18(24)22-13-4-5-13)27-15(21-10)7-2-11-9-25-23-16(11)14-6-3-12(19)8-20-14/h2-3,6-9,13H,4-5H2,1H3,(H,22,24)/b7-2+
InChIKeyPHCLCEDXZVMXEL-FARCUNLSSA-N
XLogP4.06
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-1,2-oxazol-4-yl]ethenyl]-4-methyl-1,3-thiazol-5-yl] N-cyclopropylcarbamate?
The IUPAC name of [2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-1,2-oxazol-4-yl]ethenyl]-4-methyl-1,3-thiazol-5-yl] N-cyclopropylcarbamate (CID 122553209) is [2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-1,2-oxazol-4-yl]ethenyl]-4-methyl-1,3-thiazol-5-yl] N-cyclopropylcarbamate.
What is the SMILES notation for [2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-1,2-oxazol-4-yl]ethenyl]-4-methyl-1,3-thiazol-5-yl] N-cyclopropylcarbamate?
The canonical SMILES for [2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-1,2-oxazol-4-yl]ethenyl]-4-methyl-1,3-thiazol-5-yl] N-cyclopropylcarbamate is Cc1nc(/C=C/c2conc2-c2ccc(F)cn2)sc1OC(=O)NC1CC1.
What is the InChIKey of [2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-1,2-oxazol-4-yl]ethenyl]-4-methyl-1,3-thiazol-5-yl] N-cyclopropylcarbamate?
The InChIKey is PHCLCEDXZVMXEL-FARCUNLSSA-N. The full InChI is InChI=1S/C18H15FN4O3S/c1-10-17(26-18(24)22-13-4-5-13)27-15(21-10)7-2-11-9-25-23-16(11)14-6-3-12(19)8-20-14/h2-3,6-9,13H,4-5H2,1H3,(H,22,24)/b7-2+.
What are the key properties of [2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-1,2-oxazol-4-yl]ethenyl]-4-methyl-1,3-thiazol-5-yl] N-cyclopropylcarbamate?
[2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-1,2-oxazol-4-yl]ethenyl]-4-methyl-1,3-thiazol-5-yl] N-cyclopropylcarbamate has a molecular weight of 386.41 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-1,2-oxazol-4-yl]ethenyl]-4-methyl-1,3-thiazol-5-yl] N-cyclopropylcarbamate is sourced from PubChem (CID 122553209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).