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

C19H21FN4O2 — CID 51596139

IUPAC5-(1,5-dimethylpyrazol-4-yl)-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-1,2-oxazole-3-carboxamide
SMILESCc1c(-c2cc(C(=O)N[C@H](c3ccc(F)cc3)C(C)C)no2)cnn1C
InChIInChI=1S/C19H21FN4O2/c1-11(2)18(13-5-7-14(20)8-6-13)22-19(25)16-9-17(26-23-16)15-10-21-24(4)12(15)3/h5-11,18H,1-4H3,(H,22,25)/t18-/m0/s1
InChIKeyYMKOZHDXTLVFGR-SFHVURJKSA-N
MW356.40 g/mol
LogP3.65
Rot. Bonds5

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

5-(1,5-dimethylpyrazol-4-yl)-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-1,2-oxazole-3-carboxamide (PubChem CID 51596139) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is 5-(1,5-dimethylpyrazol-4-yl)-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(1,5-dimethylpyrazol-4-yl)-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-1,2-oxazole-3-carboxamide
PubChem CID51596139
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC Name5-(1,5-dimethylpyrazol-4-yl)-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-1,2-oxazole-3-carboxamide
SMILESCc1c(-c2cc(C(=O)N[C@H](c3ccc(F)cc3)C(C)C)no2)cnn1C
InChIInChI=1S/C19H21FN4O2/c1-11(2)18(13-5-7-14(20)8-6-13)22-19(25)16-9-17(26-23-16)15-10-21-24(4)12(15)3/h5-11,18H,1-4H3,(H,22,25)/t18-/m0/s1
InChIKeyYMKOZHDXTLVFGR-SFHVURJKSA-N
XLogP3.65
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1,5-dimethylpyrazol-4-yl)-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(1,5-dimethylpyrazol-4-yl)-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-1,2-oxazole-3-carboxamide (CID 51596139) is 5-(1,5-dimethylpyrazol-4-yl)-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(1,5-dimethylpyrazol-4-yl)-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(1,5-dimethylpyrazol-4-yl)-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-1,2-oxazole-3-carboxamide is Cc1c(-c2cc(C(=O)N[C@H](c3ccc(F)cc3)C(C)C)no2)cnn1C.
What is the InChIKey of 5-(1,5-dimethylpyrazol-4-yl)-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-1,2-oxazole-3-carboxamide?
The InChIKey is YMKOZHDXTLVFGR-SFHVURJKSA-N. The full InChI is InChI=1S/C19H21FN4O2/c1-11(2)18(13-5-7-14(20)8-6-13)22-19(25)16-9-17(26-23-16)15-10-21-24(4)12(15)3/h5-11,18H,1-4H3,(H,22,25)/t18-/m0/s1.
What are the key properties of 5-(1,5-dimethylpyrazol-4-yl)-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-1,2-oxazole-3-carboxamide?
5-(1,5-dimethylpyrazol-4-yl)-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-1,2-oxazole-3-carboxamide has a molecular weight of 356.40 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,5-dimethylpyrazol-4-yl)-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 51596139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).