[2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-1,3-thiazol-5-yl] N-methylcarbamate

C16H15FN4O3S — CID 122553188

IUPAC[2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-1,3-thiazol-5-yl] N-methylcarbamate
SMILESCNC(=O)Oc1cnc(CCc2c(-c3ccc(F)cn3)noc2C)s1
InChIInChI=1S/C16H15FN4O3S/c1-9-11(15(21-24-9)12-5-3-10(17)7-19-12)4-6-13-20-8-14(25-13)23-16(22)18-2/h3,5,7-8H,4,6H2,1-2H3,(H,18,22)
InChIKeyWQOQRCJSQKVCPR-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.14
Rot. Bonds5

About [2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-1,3-thiazol-5-yl] N-methylcarbamate

[2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-1,3-thiazol-5-yl] N-methylcarbamate (PubChem CID 122553188) has the molecular formula C16H15FN4O3S and a molecular weight of 362.39 g/mol. Its IUPAC name is [2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-1,3-thiazol-5-yl] N-methylcarbamate.

Molecular Properties

Compound Name[2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-1,3-thiazol-5-yl] N-methylcarbamate
PubChem CID122553188
Molecular FormulaC16H15FN4O3S
Molecular Weight362.39 g/mol
Exact Mass362.08
IUPAC Name[2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-1,3-thiazol-5-yl] N-methylcarbamate
SMILESCNC(=O)Oc1cnc(CCc2c(-c3ccc(F)cn3)noc2C)s1
InChIInChI=1S/C16H15FN4O3S/c1-9-11(15(21-24-9)12-5-3-10(17)7-19-12)4-6-13-20-8-14(25-13)23-16(22)18-2/h3,5,7-8H,4,6H2,1-2H3,(H,18,22)
InChIKeyWQOQRCJSQKVCPR-UHFFFAOYSA-N
XLogP3.14
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-1,3-thiazol-5-yl] N-methylcarbamate with MolForge

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Related Compounds

2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 59568532
2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]acetic acid
CID 174641906
methyl 5-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate
CID 66644374
2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-methyl-1,3-thiazole-5-carboxamide
CID 66643295
2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]acetic acid
CID 112585209
methyl 4-methyl-2-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylate
CID 59568508
3-(5-fluoro-2-pyridinyl)-5-methyl-4-[(1-methylpyrazol-3-yl)oxymethyl]-1,2-oxazole
CID 141279422
4-methyl-2-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylic acid
CID 66643567
4-ethyl-3-(5-fluoro-2-pyridinyl)-1,2-oxazol-5-amine
CID 104639025
1-cyclopropyl-N-[[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]methyl]methanamine
CID 112583423
2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]ethanamine
CID 112583390
ethyl 2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 79719784

Frequently Asked Questions

What is the IUPAC name of [2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-1,3-thiazol-5-yl] N-methylcarbamate?
The IUPAC name of [2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-1,3-thiazol-5-yl] N-methylcarbamate (CID 122553188) is [2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-1,3-thiazol-5-yl] N-methylcarbamate.
What is the SMILES notation for [2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-1,3-thiazol-5-yl] N-methylcarbamate?
The canonical SMILES for [2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-1,3-thiazol-5-yl] N-methylcarbamate is CNC(=O)Oc1cnc(CCc2c(-c3ccc(F)cn3)noc2C)s1.
What is the InChIKey of [2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-1,3-thiazol-5-yl] N-methylcarbamate?
The InChIKey is WQOQRCJSQKVCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O3S/c1-9-11(15(21-24-9)12-5-3-10(17)7-19-12)4-6-13-20-8-14(25-13)23-16(22)18-2/h3,5,7-8H,4,6H2,1-2H3,(H,18,22).
What are the key properties of [2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-1,3-thiazol-5-yl] N-methylcarbamate?
[2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-1,3-thiazol-5-yl] N-methylcarbamate has a molecular weight of 362.39 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-1,3-thiazol-5-yl] N-methylcarbamate is sourced from PubChem (CID 122553188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).