N-[(2-chlorophenyl)methyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]acetamide

C18H14ClFN2O3 — CID 53180528

IUPACN-[(2-chlorophenyl)methyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]acetamide
SMILESO=C(Cn1cc(-c2ccc(F)cc2)oc1=O)NCc1ccccc1Cl
InChIInChI=1S/C18H14ClFN2O3/c19-15-4-2-1-3-13(15)9-21-17(23)11-22-10-16(25-18(22)24)12-5-7-14(20)8-6-12/h1-8,10H,9,11H2,(H,21,23)
InChIKeyQQDYUZCUGQQZNI-UHFFFAOYSA-N
MW360.77 g/mol
LogP3.22
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]acetamide

N-[(2-chlorophenyl)methyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]acetamide (PubChem CID 53180528) has the molecular formula C18H14ClFN2O3 and a molecular weight of 360.77 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]acetamide
PubChem CID53180528
Molecular FormulaC18H14ClFN2O3
Molecular Weight360.77 g/mol
Exact Mass360.07
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]acetamide
SMILESO=C(Cn1cc(-c2ccc(F)cc2)oc1=O)NCc1ccccc1Cl
InChIInChI=1S/C18H14ClFN2O3/c19-15-4-2-1-3-13(15)9-21-17(23)11-22-10-16(25-18(22)24)12-5-7-14(20)8-6-12/h1-8,10H,9,11H2,(H,21,23)
InChIKeyQQDYUZCUGQQZNI-UHFFFAOYSA-N
XLogP3.22
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.77
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

US9611232, Example 19
CID 74221641
benzyl N-[1-[(4-chlorophenyl)methyl-methylamino]-1-oxopropan-2-yl]carbamate
CID 4877694
N-(2-chlorobenzyl)-2-(5-((2-fluorobenzyl)oxy)-2-methyl-4-oxopyridin-1(4H)-yl)acetamide
CID 16852774
N-[(3-Fluorophenyl)methyl]-2-(2-oxo-5-phenyl-2,3-dihydro-1,3-oxazol-3-YL)acetamide
CID 53180382
N-(1-Benzylpiperidin-4-YL)-2-[5-(4-fluorophenyl)-2-oxo-2,3-dihydro-1,3-oxazol-3-YL]acetamide
CID 53180481
N-benzyl-2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]acetamide
CID 53180489
N-[(3-fluorophenyl)methyl]-2-[5-(4-methylphenyl)-2-oxo-1,3-oxazol-3-yl]acetamide
CID 53180438
benzyl (2S)-2-[[4-[(2-chlorophenyl)methylamino]-4-oxobutyl]carbamoyl]pyrrolidine-1-carboxylate
CID 121596909
benzyl N-[2-[[1-[(4-chlorophenyl)methyl]-4-piperidyl]methylamino]-2-oxo-ethyl]carbamate
CID 508805
(2-methoxy-2-phenylethyl) N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrrolidin-3-yl]carbamate
CID 6733960
N-[(3-chlorophenyl)methyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 9209879
N-[(4-Fluorophenyl)methyl]-2-[5-(4-methylphenyl)-2-oxo-2,3-dihydro-1,3-oxazol-3-YL]acetamide
CID 53180432

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]acetamide (CID 53180528) is N-[(2-chlorophenyl)methyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]acetamide is O=C(Cn1cc(-c2ccc(F)cc2)oc1=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]acetamide?
The InChIKey is QQDYUZCUGQQZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O3/c19-15-4-2-1-3-13(15)9-21-17(23)11-22-10-16(25-18(22)24)12-5-7-14(20)8-6-12/h1-8,10H,9,11H2,(H,21,23).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]acetamide?
N-[(2-chlorophenyl)methyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]acetamide has a molecular weight of 360.77 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]acetamide is sourced from PubChem (CID 53180528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).