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

C22H24ClN3O2 — CID 110407171

IUPAC2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(dimethylamino)-2-phenylethyl]acetamide
SMILESCc1oc(-c2ccc(Cl)cc2)nc1CC(=O)NCC(c1ccccc1)N(C)C
InChIInChI=1S/C22H24ClN3O2/c1-15-19(25-22(28-15)17-9-11-18(23)12-10-17)13-21(27)24-14-20(26(2)3)16-7-5-4-6-8-16/h4-12,20H,13-14H2,1-3H3,(H,24,27)
InChIKeyFXPCXENQDONFGK-UHFFFAOYSA-N
MW397.91 g/mol
LogP4.27
Rot. Bonds7

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

2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(dimethylamino)-2-phenylethyl]acetamide (PubChem CID 110407171) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(dimethylamino)-2-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(dimethylamino)-2-phenylethyl]acetamide
PubChem CID110407171
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC Name2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(dimethylamino)-2-phenylethyl]acetamide
SMILESCc1oc(-c2ccc(Cl)cc2)nc1CC(=O)NCC(c1ccccc1)N(C)C
InChIInChI=1S/C22H24ClN3O2/c1-15-19(25-22(28-15)17-9-11-18(23)12-10-17)13-21(27)24-14-20(26(2)3)16-7-5-4-6-8-16/h4-12,20H,13-14H2,1-3H3,(H,24,27)
InChIKeyFXPCXENQDONFGK-UHFFFAOYSA-N
XLogP4.27
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-phenylethyl]-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110620881
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 27229975
2-(4-chlorophenyl)-N-[2-(dimethylamino)-2-phenylethyl]acetamide
CID 4675953
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 30396724
2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]acetamide
CID 110408424
2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-methoxyacetamide
CID 110423975
2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]acetamide
CID 110621152
N-(4-hydroxy-2-methylpentyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 111447499
N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 38789403
N-[2-(methylamino)-2-oxoethyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 32562086
N-[2-[[(2R)-butan-2-yl]-methylamino]ethyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 95167723
(2R)-2-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]-2-phenylacetamide
CID 94614527

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(dimethylamino)-2-phenylethyl]acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(dimethylamino)-2-phenylethyl]acetamide (CID 110407171) is 2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(dimethylamino)-2-phenylethyl]acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(dimethylamino)-2-phenylethyl]acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(dimethylamino)-2-phenylethyl]acetamide is Cc1oc(-c2ccc(Cl)cc2)nc1CC(=O)NCC(c1ccccc1)N(C)C.
What is the InChIKey of 2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(dimethylamino)-2-phenylethyl]acetamide?
The InChIKey is FXPCXENQDONFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c1-15-19(25-22(28-15)17-9-11-18(23)12-10-17)13-21(27)24-14-20(26(2)3)16-7-5-4-6-8-16/h4-12,20H,13-14H2,1-3H3,(H,24,27).
What are the key properties of 2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(dimethylamino)-2-phenylethyl]acetamide?
2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(dimethylamino)-2-phenylethyl]acetamide has a molecular weight of 397.91 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(dimethylamino)-2-phenylethyl]acetamide is sourced from PubChem (CID 110407171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).