N-[4-[4-[[[2-(2-fluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2-phenylacetamide

C27H24FN3O3 — CID 42317100

IUPACN-[4-[4-[[[2-(2-fluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2-phenylacetamide
SMILESCc1oc(-c2ccc(NC(=O)Cc3ccccc3)cc2)nc1CNC(=O)Cc1ccccc1F
InChIInChI=1S/C27H24FN3O3/c1-18-24(17-29-25(32)16-21-9-5-6-10-23(21)28)31-27(34-18)20-11-13-22(14-12-20)30-26(33)15-19-7-3-2-4-8-19/h2-14H,15-17H2,1H3,(H,29,32)(H,30,33)
InChIKeyUKBVKWINUCTNLW-UHFFFAOYSA-N
MW457.51 g/mol
LogP4.83
Rot. Bonds8

About N-[4-[4-[[[2-(2-fluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2-phenylacetamide

N-[4-[4-[[[2-(2-fluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2-phenylacetamide (PubChem CID 42317100) has the molecular formula C27H24FN3O3 and a molecular weight of 457.51 g/mol. Its IUPAC name is N-[4-[4-[[[2-(2-fluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-[4-[[[2-(2-fluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2-phenylacetamide
PubChem CID42317100
Molecular FormulaC27H24FN3O3
Molecular Weight457.51 g/mol
Exact Mass457.18
IUPAC NameN-[4-[4-[[[2-(2-fluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2-phenylacetamide
SMILESCc1oc(-c2ccc(NC(=O)Cc3ccccc3)cc2)nc1CNC(=O)Cc1ccccc1F
InChIInChI=1S/C27H24FN3O3/c1-18-24(17-29-25(32)16-21-9-5-6-10-23(21)28)31-27(34-18)20-11-13-22(14-12-20)30-26(33)15-19-7-3-2-4-8-19/h2-14H,15-17H2,1H3,(H,29,32)(H,30,33)
InChIKeyUKBVKWINUCTNLW-UHFFFAOYSA-N
XLogP4.83
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[4-[[[2-(2-fluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[[[2-(2-fluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2-phenylacetamide?
The IUPAC name of N-[4-[4-[[[2-(2-fluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2-phenylacetamide (CID 42317100) is N-[4-[4-[[[2-(2-fluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2-phenylacetamide.
What is the SMILES notation for N-[4-[4-[[[2-(2-fluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2-phenylacetamide?
The canonical SMILES for N-[4-[4-[[[2-(2-fluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2-phenylacetamide is Cc1oc(-c2ccc(NC(=O)Cc3ccccc3)cc2)nc1CNC(=O)Cc1ccccc1F.
What is the InChIKey of N-[4-[4-[[[2-(2-fluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2-phenylacetamide?
The InChIKey is UKBVKWINUCTNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN3O3/c1-18-24(17-29-25(32)16-21-9-5-6-10-23(21)28)31-27(34-18)20-11-13-22(14-12-20)30-26(33)15-19-7-3-2-4-8-19/h2-14H,15-17H2,1H3,(H,29,32)(H,30,33).
What are the key properties of N-[4-[4-[[[2-(2-fluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2-phenylacetamide?
N-[4-[4-[[[2-(2-fluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2-phenylacetamide has a molecular weight of 457.51 g/mol, XLogP of 4.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[[[2-(2-fluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2-phenylacetamide is sourced from PubChem (CID 42317100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).