4-[2-amino-5-(5-methyl-1,2-oxazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide

C24H21FN4O3 — CID 118046065

IUPAC4-[2-amino-5-(5-methyl-1,2-oxazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
SMILESCc1oncc1-c1cnc(N)c(-c2ccc(C(=O)N[C@H](CO)c3ccccc3)c(F)c2)c1
InChIInChI=1S/C24H21FN4O3/c1-14-20(12-28-32-14)17-9-19(23(26)27-11-17)16-7-8-18(21(25)10-16)24(31)29-22(13-30)15-5-3-2-4-6-15/h2-12,22,30H,13H2,1H3,(H2,26,27)(H,29,31)/t22-/m1/s1
InChIKeyRHQSJPAAXNIURX-JOCHJYFZSA-N
MW432.46 g/mol
LogP3.90
Rot. Bonds6

About 4-[2-amino-5-(5-methyl-1,2-oxazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide

4-[2-amino-5-(5-methyl-1,2-oxazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide (PubChem CID 118046065) has the molecular formula C24H21FN4O3 and a molecular weight of 432.46 g/mol. Its IUPAC name is 4-[2-amino-5-(5-methyl-1,2-oxazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide.

Molecular Properties

Compound Name4-[2-amino-5-(5-methyl-1,2-oxazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
PubChem CID118046065
Molecular FormulaC24H21FN4O3
Molecular Weight432.46 g/mol
Exact Mass432.16
IUPAC Name4-[2-amino-5-(5-methyl-1,2-oxazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
SMILESCc1oncc1-c1cnc(N)c(-c2ccc(C(=O)N[C@H](CO)c3ccccc3)c(F)c2)c1
InChIInChI=1S/C24H21FN4O3/c1-14-20(12-28-32-14)17-9-19(23(26)27-11-17)16-7-8-18(21(25)10-16)24(31)29-22(13-30)15-5-3-2-4-6-15/h2-12,22,30H,13H2,1H3,(H2,26,27)(H,29,31)/t22-/m1/s1
InChIKeyRHQSJPAAXNIURX-JOCHJYFZSA-N
XLogP3.90
TPSA114.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-5-(5-methyl-1,2-oxazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?
The IUPAC name of 4-[2-amino-5-(5-methyl-1,2-oxazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide (CID 118046065) is 4-[2-amino-5-(5-methyl-1,2-oxazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide.
What is the SMILES notation for 4-[2-amino-5-(5-methyl-1,2-oxazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?
The canonical SMILES for 4-[2-amino-5-(5-methyl-1,2-oxazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide is Cc1oncc1-c1cnc(N)c(-c2ccc(C(=O)N[C@H](CO)c3ccccc3)c(F)c2)c1.
What is the InChIKey of 4-[2-amino-5-(5-methyl-1,2-oxazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?
The InChIKey is RHQSJPAAXNIURX-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H21FN4O3/c1-14-20(12-28-32-14)17-9-19(23(26)27-11-17)16-7-8-18(21(25)10-16)24(31)29-22(13-30)15-5-3-2-4-6-15/h2-12,22,30H,13H2,1H3,(H2,26,27)(H,29,31)/t22-/m1/s1.
What are the key properties of 4-[2-amino-5-(5-methyl-1,2-oxazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?
4-[2-amino-5-(5-methyl-1,2-oxazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide has a molecular weight of 432.46 g/mol, XLogP of 3.90, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-5-(5-methyl-1,2-oxazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide is sourced from PubChem (CID 118046065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).