3-(5-fluoro-2-pyridinyl)-5-methyl-4-[(1-methylpyrazol-3-yl)oxymethyl]-1,2-oxazole

C14H13FN4O2 — CID 141279422

IUPAC3-(5-fluoro-2-pyridinyl)-5-methyl-4-[(1-methylpyrazol-3-yl)oxymethyl]-1,2-oxazole
SMILESCc1onc(-c2ccc(F)cn2)c1COc1ccn(C)n1
InChIInChI=1S/C14H13FN4O2/c1-9-11(8-20-13-5-6-19(2)17-13)14(18-21-9)12-4-3-10(15)7-16-12/h3-7H,8H2,1-2H3
InChIKeyMGGLTCQZBXFULS-UHFFFAOYSA-N
MW288.28 g/mol
LogP2.50
Rot. Bonds4

About 3-(5-fluoro-2-pyridinyl)-5-methyl-4-[(1-methylpyrazol-3-yl)oxymethyl]-1,2-oxazole

3-(5-fluoro-2-pyridinyl)-5-methyl-4-[(1-methylpyrazol-3-yl)oxymethyl]-1,2-oxazole (PubChem CID 141279422) has the molecular formula C14H13FN4O2 and a molecular weight of 288.28 g/mol. Its IUPAC name is 3-(5-fluoro-2-pyridinyl)-5-methyl-4-[(1-methylpyrazol-3-yl)oxymethyl]-1,2-oxazole.

Molecular Properties

Compound Name3-(5-fluoro-2-pyridinyl)-5-methyl-4-[(1-methylpyrazol-3-yl)oxymethyl]-1,2-oxazole
PubChem CID141279422
Molecular FormulaC14H13FN4O2
Molecular Weight288.28 g/mol
Exact Mass288.10
IUPAC Name3-(5-fluoro-2-pyridinyl)-5-methyl-4-[(1-methylpyrazol-3-yl)oxymethyl]-1,2-oxazole
SMILESCc1onc(-c2ccc(F)cn2)c1COc1ccn(C)n1
InChIInChI=1S/C14H13FN4O2/c1-9-11(8-20-13-5-6-19(2)17-13)14(18-21-9)12-4-3-10(15)7-16-12/h3-7H,8H2,1-2H3
InChIKeyMGGLTCQZBXFULS-UHFFFAOYSA-N
XLogP2.50
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
4-ethyl-3-(5-fluoro-2-pyridinyl)-1,2-oxazol-5-amine
CID 104639025
1-[6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-3-pyridinyl]-3-methylbutan-1-one
CID 159461087
3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1-methyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrazole-5-carboxamide
CID 67276266
3-[(2,6-dibromophenyl)methoxy]-1-methylpyrazole
CID 159067473
[2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-1,3-thiazol-5-yl] N-methylcarbamate
CID 122553188
1-methyl-3-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]pyrazole-5-carboxylic acid
CID 66643856
3-methyl-2-[(1-methylpyrazol-3-yl)oxymethyl]aniline
CID 153085603
methyl 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1H-pyrazole-5-carboxylate
CID 66643834
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
6-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylic acid
CID 42630170

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-pyridinyl)-5-methyl-4-[(1-methylpyrazol-3-yl)oxymethyl]-1,2-oxazole?
The IUPAC name of 3-(5-fluoro-2-pyridinyl)-5-methyl-4-[(1-methylpyrazol-3-yl)oxymethyl]-1,2-oxazole (CID 141279422) is 3-(5-fluoro-2-pyridinyl)-5-methyl-4-[(1-methylpyrazol-3-yl)oxymethyl]-1,2-oxazole.
What is the SMILES notation for 3-(5-fluoro-2-pyridinyl)-5-methyl-4-[(1-methylpyrazol-3-yl)oxymethyl]-1,2-oxazole?
The canonical SMILES for 3-(5-fluoro-2-pyridinyl)-5-methyl-4-[(1-methylpyrazol-3-yl)oxymethyl]-1,2-oxazole is Cc1onc(-c2ccc(F)cn2)c1COc1ccn(C)n1.
What is the InChIKey of 3-(5-fluoro-2-pyridinyl)-5-methyl-4-[(1-methylpyrazol-3-yl)oxymethyl]-1,2-oxazole?
The InChIKey is MGGLTCQZBXFULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O2/c1-9-11(8-20-13-5-6-19(2)17-13)14(18-21-9)12-4-3-10(15)7-16-12/h3-7H,8H2,1-2H3.
What are the key properties of 3-(5-fluoro-2-pyridinyl)-5-methyl-4-[(1-methylpyrazol-3-yl)oxymethyl]-1,2-oxazole?
3-(5-fluoro-2-pyridinyl)-5-methyl-4-[(1-methylpyrazol-3-yl)oxymethyl]-1,2-oxazole has a molecular weight of 288.28 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-pyridinyl)-5-methyl-4-[(1-methylpyrazol-3-yl)oxymethyl]-1,2-oxazole is sourced from PubChem (CID 141279422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).