3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1-methyl-N-(3-methyloxetan-3-yl)pyrazole-5-carboxamide

C20H21FN4O4 — CID 59568484

IUPAC3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1-methyl-N-(3-methyloxetan-3-yl)pyrazole-5-carboxamide
SMILESCc1onc(-c2ccc(F)cc2)c1COc1cc(C(=O)NC2(C)COC2)n(C)n1
InChIInChI=1S/C20H21FN4O4/c1-12-15(18(24-29-12)13-4-6-14(21)7-5-13)9-28-17-8-16(25(3)23-17)19(26)22-20(2)10-27-11-20/h4-8H,9-11H2,1-3H3,(H,22,26)
InChIKeyXKCFVRVWFZWIRT-UHFFFAOYSA-N
MW400.41 g/mol
LogP2.62
Rot. Bonds6

About 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1-methyl-N-(3-methyloxetan-3-yl)pyrazole-5-carboxamide

3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1-methyl-N-(3-methyloxetan-3-yl)pyrazole-5-carboxamide (PubChem CID 59568484) has the molecular formula C20H21FN4O4 and a molecular weight of 400.41 g/mol. Its IUPAC name is 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1-methyl-N-(3-methyloxetan-3-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1-methyl-N-(3-methyloxetan-3-yl)pyrazole-5-carboxamide
PubChem CID59568484
Molecular FormulaC20H21FN4O4
Molecular Weight400.41 g/mol
Exact Mass400.15
IUPAC Name3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1-methyl-N-(3-methyloxetan-3-yl)pyrazole-5-carboxamide
SMILESCc1onc(-c2ccc(F)cc2)c1COc1cc(C(=O)NC2(C)COC2)n(C)n1
InChIInChI=1S/C20H21FN4O4/c1-12-15(18(24-29-12)13-4-6-14(21)7-5-13)9-28-17-8-16(25(3)23-17)19(26)22-20(2)10-27-11-20/h4-8H,9-11H2,1-3H3,(H,22,26)
InChIKeyXKCFVRVWFZWIRT-UHFFFAOYSA-N
XLogP2.62
TPSA91.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.41
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
methyl 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1H-pyrazole-5-carboxylate
CID 66643834
N-(3-hydroxy-2-methylpropyl)-1-methyl-3-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]pyrazole-5-carboxamide
CID 163476575
1-methyl-3-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]pyrazole-5-carboxylic acid
CID 66643856
1-[6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-3-pyridinyl]-3-methylbutan-1-one
CID 159461087
methyl 3-[[3-(4-chlorophenyl)-5-formyl-1,2-oxazol-4-yl]methoxy]-1-methylpyrazole-5-carboxylate
CID 86761556
[2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(1-methylpyrrol-3-yl)methanone
CID 146469000
CID 172815273
CID 172815273
6-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(3-methyloxetan-3-yl)pyridazine-3-carboxamide
CID 57335832
3-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-propyl-1,2-oxazole-5-carboxamide
CID 67492440
3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-morpholin-4-yl-1,2-oxazole-5-carboxamide
CID 46896985
methyl 3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-1,2-oxazole-5-carboxylate
CID 67492296

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1-methyl-N-(3-methyloxetan-3-yl)pyrazole-5-carboxamide?
The IUPAC name of 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1-methyl-N-(3-methyloxetan-3-yl)pyrazole-5-carboxamide (CID 59568484) is 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1-methyl-N-(3-methyloxetan-3-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1-methyl-N-(3-methyloxetan-3-yl)pyrazole-5-carboxamide?
The canonical SMILES for 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1-methyl-N-(3-methyloxetan-3-yl)pyrazole-5-carboxamide is Cc1onc(-c2ccc(F)cc2)c1COc1cc(C(=O)NC2(C)COC2)n(C)n1.
What is the InChIKey of 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1-methyl-N-(3-methyloxetan-3-yl)pyrazole-5-carboxamide?
The InChIKey is XKCFVRVWFZWIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O4/c1-12-15(18(24-29-12)13-4-6-14(21)7-5-13)9-28-17-8-16(25(3)23-17)19(26)22-20(2)10-27-11-20/h4-8H,9-11H2,1-3H3,(H,22,26).
What are the key properties of 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1-methyl-N-(3-methyloxetan-3-yl)pyrazole-5-carboxamide?
3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1-methyl-N-(3-methyloxetan-3-yl)pyrazole-5-carboxamide has a molecular weight of 400.41 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1-methyl-N-(3-methyloxetan-3-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 59568484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).