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

C27H23ClFN3O3 — CID 42248043

IUPACN-[2-[4-[[[2-(2-chloro-4-fluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2-phenylacetamide
SMILESCc1oc(-c2ccccc2NC(=O)Cc2ccccc2)nc1CNC(=O)Cc1ccc(F)cc1Cl
InChIInChI=1S/C27H23ClFN3O3/c1-17-24(16-30-25(33)14-19-11-12-20(29)15-22(19)28)32-27(35-17)21-9-5-6-10-23(21)31-26(34)13-18-7-3-2-4-8-18/h2-12,15H,13-14,16H2,1H3,(H,30,33)(H,31,34)
InChIKeyMWVDTIOKUPHIRT-UHFFFAOYSA-N
MW491.95 g/mol
LogP5.48
Rot. Bonds8

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

N-[2-[4-[[[2-(2-chloro-4-fluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2-phenylacetamide (PubChem CID 42248043) has the molecular formula C27H23ClFN3O3 and a molecular weight of 491.95 g/mol. Its IUPAC name is N-[2-[4-[[[2-(2-chloro-4-fluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[4-[[[2-(2-chloro-4-fluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2-phenylacetamide
PubChem CID42248043
Molecular FormulaC27H23ClFN3O3
Molecular Weight491.95 g/mol
Exact Mass491.14
IUPAC NameN-[2-[4-[[[2-(2-chloro-4-fluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2-phenylacetamide
SMILESCc1oc(-c2ccccc2NC(=O)Cc2ccccc2)nc1CNC(=O)Cc1ccc(F)cc1Cl
InChIInChI=1S/C27H23ClFN3O3/c1-17-24(16-30-25(33)14-19-11-12-20(29)15-22(19)28)32-27(35-17)21-9-5-6-10-23(21)31-26(34)13-18-7-3-2-4-8-18/h2-12,15H,13-14,16H2,1H3,(H,30,33)(H,31,34)
InChIKeyMWVDTIOKUPHIRT-UHFFFAOYSA-N
XLogP5.48
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.95
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[[2-(2-chloro-4-fluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2-phenylacetamide?
The IUPAC name of N-[2-[4-[[[2-(2-chloro-4-fluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2-phenylacetamide (CID 42248043) is N-[2-[4-[[[2-(2-chloro-4-fluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-[4-[[[2-(2-chloro-4-fluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2-phenylacetamide?
The canonical SMILES for N-[2-[4-[[[2-(2-chloro-4-fluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2-phenylacetamide is Cc1oc(-c2ccccc2NC(=O)Cc2ccccc2)nc1CNC(=O)Cc1ccc(F)cc1Cl.
What is the InChIKey of N-[2-[4-[[[2-(2-chloro-4-fluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2-phenylacetamide?
The InChIKey is MWVDTIOKUPHIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClFN3O3/c1-17-24(16-30-25(33)14-19-11-12-20(29)15-22(19)28)32-27(35-17)21-9-5-6-10-23(21)31-26(34)13-18-7-3-2-4-8-18/h2-12,15H,13-14,16H2,1H3,(H,30,33)(H,31,34).
What are the key properties of N-[2-[4-[[[2-(2-chloro-4-fluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2-phenylacetamide?
N-[2-[4-[[[2-(2-chloro-4-fluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2-phenylacetamide has a molecular weight of 491.95 g/mol, XLogP of 5.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[[[2-(2-chloro-4-fluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2-phenylacetamide is sourced from PubChem (CID 42248043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).