3-fluoro-N-[4-[2-phenyl-4-(4-phenylpiperazine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]benzamide

C33H27FN4O3 — CID 70165247

IUPAC3-fluoro-N-[4-[2-phenyl-4-(4-phenylpiperazine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(-c2oc(-c3ccccc3)nc2C(=O)N2CCN(c3ccccc3)CC2)cc1)c1cccc(F)c1
InChIInChI=1S/C33H27FN4O3/c34-26-11-7-10-25(22-26)31(39)35-27-16-14-23(15-17-27)30-29(36-32(41-30)24-8-3-1-4-9-24)33(40)38-20-18-37(19-21-38)28-12-5-2-6-13-28/h1-17,22H,18-21H2,(H,35,39)
InChIKeyAWHOELWCAWOXHX-UHFFFAOYSA-N
MW546.60 g/mol
LogP6.36
Rot. Bonds6

About 3-fluoro-N-[4-[2-phenyl-4-(4-phenylpiperazine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]benzamide

3-fluoro-N-[4-[2-phenyl-4-(4-phenylpiperazine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]benzamide (PubChem CID 70165247) has the molecular formula C33H27FN4O3 and a molecular weight of 546.60 g/mol. Its IUPAC name is 3-fluoro-N-[4-[2-phenyl-4-(4-phenylpiperazine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[4-[2-phenyl-4-(4-phenylpiperazine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]benzamide
PubChem CID70165247
Molecular FormulaC33H27FN4O3
Molecular Weight546.60 g/mol
Exact Mass546.21
IUPAC Name3-fluoro-N-[4-[2-phenyl-4-(4-phenylpiperazine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(-c2oc(-c3ccccc3)nc2C(=O)N2CCN(c3ccccc3)CC2)cc1)c1cccc(F)c1
InChIInChI=1S/C33H27FN4O3/c34-26-11-7-10-25(22-26)31(39)35-27-16-14-23(15-17-27)30-29(36-32(41-30)24-8-3-1-4-9-24)33(40)38-20-18-37(19-21-38)28-12-5-2-6-13-28/h1-17,22H,18-21H2,(H,35,39)
InChIKeyAWHOELWCAWOXHX-UHFFFAOYSA-N
XLogP6.36
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.60
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-[2-phenyl-4-(4-phenylpiperazine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]benzamide?
The IUPAC name of 3-fluoro-N-[4-[2-phenyl-4-(4-phenylpiperazine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]benzamide (CID 70165247) is 3-fluoro-N-[4-[2-phenyl-4-(4-phenylpiperazine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[4-[2-phenyl-4-(4-phenylpiperazine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]benzamide?
The canonical SMILES for 3-fluoro-N-[4-[2-phenyl-4-(4-phenylpiperazine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]benzamide is O=C(Nc1ccc(-c2oc(-c3ccccc3)nc2C(=O)N2CCN(c3ccccc3)CC2)cc1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[4-[2-phenyl-4-(4-phenylpiperazine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]benzamide?
The InChIKey is AWHOELWCAWOXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27FN4O3/c34-26-11-7-10-25(22-26)31(39)35-27-16-14-23(15-17-27)30-29(36-32(41-30)24-8-3-1-4-9-24)33(40)38-20-18-37(19-21-38)28-12-5-2-6-13-28/h1-17,22H,18-21H2,(H,35,39).
What are the key properties of 3-fluoro-N-[4-[2-phenyl-4-(4-phenylpiperazine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]benzamide?
3-fluoro-N-[4-[2-phenyl-4-(4-phenylpiperazine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]benzamide has a molecular weight of 546.60 g/mol, XLogP of 6.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-[2-phenyl-4-(4-phenylpiperazine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]benzamide is sourced from PubChem (CID 70165247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).