(5R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide

C18H21FN4O2 — CID 97465267

IUPAC(5R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
SMILESCCn1nc(C)c(NC(=O)[C@@]2(C)CC(c3ccccc3F)=NO2)c1C
InChIInChI=1S/C18H21FN4O2/c1-5-23-12(3)16(11(2)21-23)20-17(24)18(4)10-15(22-25-18)13-8-6-7-9-14(13)19/h6-9H,5,10H2,1-4H3,(H,20,24)/t18-/m1/s1
InChIKeyWRTXIBKAXNFWDG-GOSISDBHSA-N
MW344.39 g/mol
LogP3.18
Rot. Bonds4

About (5R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide

(5R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide (PubChem CID 97465267) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is (5R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
PubChem CID97465267
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name(5R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
SMILESCCn1nc(C)c(NC(=O)[C@@]2(C)CC(c3ccccc3F)=NO2)c1C
InChIInChI=1S/C18H21FN4O2/c1-5-23-12(3)16(11(2)21-23)20-17(24)18(4)10-15(22-25-18)13-8-6-7-9-14(13)19/h6-9H,5,10H2,1-4H3,(H,20,24)/t18-/m1/s1
InChIKeyWRTXIBKAXNFWDG-GOSISDBHSA-N
XLogP3.18
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5R)-3-(2-fluorophenyl)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4H-1,2-oxazole-5-carboxamide
CID 97465304
3-(2-fluorophenyl)-N-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 91945847
(4-ethylpiperazin-1-yl)-[(5S)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone
CID 97465423
(5S)-3-(2-fluorophenyl)-5-methyl-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4H-1,2-oxazole-5-carboxamide
CID 92613682
3-(2-fluorophenyl)-5-methyl-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4H-1,2-oxazole-5-carboxamide
CID 46977659
(5R)-3-(2-fluorophenyl)-5-methyl-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4H-1,2-oxazole-5-carboxamide
CID 92613681
(5S)-3-(2-fluorophenyl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 51497722
(5S)-N-(1-ethylpyrazol-3-yl)-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 97465780
3-(2-fluorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-4H-1,2-oxazole-5-carboxamide
CID 46979789
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[(5S)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone
CID 97465298
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(5S)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone
CID 97465305
(5R)-3-(2-fluorophenyl)-5-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-4H-1,2-oxazole-5-carboxamide
CID 51498730

Frequently Asked Questions

What is the IUPAC name of (5R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of (5R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide (CID 97465267) is (5R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide is CCn1nc(C)c(NC(=O)[C@@]2(C)CC(c3ccccc3F)=NO2)c1C.
What is the InChIKey of (5R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide?
The InChIKey is WRTXIBKAXNFWDG-GOSISDBHSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-5-23-12(3)16(11(2)21-23)20-17(24)18(4)10-15(22-25-18)13-8-6-7-9-14(13)19/h6-9H,5,10H2,1-4H3,(H,20,24)/t18-/m1/s1.
What are the key properties of (5R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide?
(5R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide has a molecular weight of 344.39 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 97465267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).