(5S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide

C17H19FN4O2 — CID 97465686

IUPAC(5S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
SMILESCc1c(CNC(=O)[C@]2(C)CC(c3cccc(F)c3)=NO2)cnn1C
InChIInChI=1S/C17H19FN4O2/c1-11-13(10-20-22(11)3)9-19-16(23)17(2)8-15(21-24-17)12-5-4-6-14(18)7-12/h4-7,10H,8-9H2,1-3H3,(H,19,23)/t17-/m0/s1
InChIKeyGVPADKMGLJHKEZ-KRWDZBQOSA-N
MW330.36 g/mol
LogP2.07
Rot. Bonds4

About (5S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide

(5S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide (PubChem CID 97465686) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is (5S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
PubChem CID97465686
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name(5S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
SMILESCc1c(CNC(=O)[C@]2(C)CC(c3cccc(F)c3)=NO2)cnn1C
InChIInChI=1S/C17H19FN4O2/c1-11-13(10-20-22(11)3)9-19-16(23)17(2)8-15(21-24-17)12-5-4-6-14(18)7-12/h4-7,10H,8-9H2,1-3H3,(H,19,23)/t17-/m0/s1
InChIKeyGVPADKMGLJHKEZ-KRWDZBQOSA-N
XLogP2.07
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 97465509
(5S)-3-(3-fluorophenyl)-5-methyl-N-[(5-methylfuran-2-yl)methyl]-4H-1,2-oxazole-5-carboxamide
CID 97465772
(5R)-3-(3-fluorophenyl)-5-methyl-N-(3-pyrazol-1-ylpropyl)-4H-1,2-oxazole-5-carboxamide
CID 97465778
3-(3-fluorophenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)-4H-1,2-oxazole-5-carboxamide
CID 91946116
(5S)-3-(3-fluorophenyl)-5-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-4H-1,2-oxazole-5-carboxamide
CID 97465699
(5R)-3-(3-fluorophenyl)-5-methyl-N-(5-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide
CID 97465721
(5S)-3-(3-fluorophenyl)-5-methyl-N-(6-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide
CID 97465718
(5R)-N,N-diethyl-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 97465707
(5R)-3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 100815919
(5R)-N-(4-acetylphenyl)-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 97465709
[(5S)-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone
CID 97465759
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methyl-3-methylidenecyclobutane-1-carboxamide
CID 126840448

Frequently Asked Questions

What is the IUPAC name of (5S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of (5S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide (CID 97465686) is (5S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide is Cc1c(CNC(=O)[C@]2(C)CC(c3cccc(F)c3)=NO2)cnn1C.
What is the InChIKey of (5S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide?
The InChIKey is GVPADKMGLJHKEZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-11-13(10-20-22(11)3)9-19-16(23)17(2)8-15(21-24-17)12-5-4-6-14(18)7-12/h4-7,10H,8-9H2,1-3H3,(H,19,23)/t17-/m0/s1.
What are the key properties of (5S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide?
(5S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide has a molecular weight of 330.36 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 97465686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).