(1-amino-1-oxopropan-2-yl) 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-1-methylpyrazole-5-carboxylate

C19H20FN5O4 — CID 66643742

IUPAC(1-amino-1-oxopropan-2-yl) 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-1-methylpyrazole-5-carboxylate
SMILESCc1onc(-c2ccc(F)cc2)c1CNc1cc(C(=O)OC(C)C(N)=O)n(C)n1
InChIInChI=1S/C19H20FN5O4/c1-10-14(17(24-29-10)12-4-6-13(20)7-5-12)9-22-16-8-15(25(3)23-16)19(27)28-11(2)18(21)26/h4-8,11H,9H2,1-3H3,(H2,21,26)(H,22,23)
InChIKeyVOALXMDZFVFGPE-UHFFFAOYSA-N
MW401.40 g/mol
LogP2.17
Rot. Bonds7

About (1-amino-1-oxopropan-2-yl) 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-1-methylpyrazole-5-carboxylate

(1-amino-1-oxopropan-2-yl) 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-1-methylpyrazole-5-carboxylate (PubChem CID 66643742) has the molecular formula C19H20FN5O4 and a molecular weight of 401.40 g/mol. Its IUPAC name is (1-amino-1-oxopropan-2-yl) 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-1-methylpyrazole-5-carboxylate.

Molecular Properties

Compound Name(1-amino-1-oxopropan-2-yl) 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-1-methylpyrazole-5-carboxylate
PubChem CID66643742
Molecular FormulaC19H20FN5O4
Molecular Weight401.40 g/mol
Exact Mass401.15
IUPAC Name(1-amino-1-oxopropan-2-yl) 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-1-methylpyrazole-5-carboxylate
SMILESCc1onc(-c2ccc(F)cc2)c1CNc1cc(C(=O)OC(C)C(N)=O)n(C)n1
InChIInChI=1S/C19H20FN5O4/c1-10-14(17(24-29-10)12-4-6-13(20)7-5-12)9-22-16-8-15(25(3)23-16)19(27)28-11(2)18(21)26/h4-8,11H,9H2,1-3H3,(H2,21,26)(H,22,23)
InChIKeyVOALXMDZFVFGPE-UHFFFAOYSA-N
XLogP2.17
TPSA125.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.40
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (1-amino-1-oxopropan-2-yl) 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-1-methylpyrazole-5-carboxylate?
The IUPAC name of (1-amino-1-oxopropan-2-yl) 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-1-methylpyrazole-5-carboxylate (CID 66643742) is (1-amino-1-oxopropan-2-yl) 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-1-methylpyrazole-5-carboxylate.
What is the SMILES notation for (1-amino-1-oxopropan-2-yl) 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-1-methylpyrazole-5-carboxylate?
The canonical SMILES for (1-amino-1-oxopropan-2-yl) 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-1-methylpyrazole-5-carboxylate is Cc1onc(-c2ccc(F)cc2)c1CNc1cc(C(=O)OC(C)C(N)=O)n(C)n1.
What is the InChIKey of (1-amino-1-oxopropan-2-yl) 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-1-methylpyrazole-5-carboxylate?
The InChIKey is VOALXMDZFVFGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O4/c1-10-14(17(24-29-10)12-4-6-13(20)7-5-12)9-22-16-8-15(25(3)23-16)19(27)28-11(2)18(21)26/h4-8,11H,9H2,1-3H3,(H2,21,26)(H,22,23).
What are the key properties of (1-amino-1-oxopropan-2-yl) 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-1-methylpyrazole-5-carboxylate?
(1-amino-1-oxopropan-2-yl) 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-1-methylpyrazole-5-carboxylate has a molecular weight of 401.40 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-1-oxopropan-2-yl) 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-1-methylpyrazole-5-carboxylate is sourced from PubChem (CID 66643742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).