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

C22H24FN3O2 — CID 110620881

IUPACN-[2-(dimethylamino)-2-phenylethyl]-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
SMILESCc1oc(-c2ccc(F)cc2)nc1CC(=O)NCC(c1ccccc1)N(C)C
InChIInChI=1S/C22H24FN3O2/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)
InChIKeyZGARMSJKZRAQST-UHFFFAOYSA-N
MW381.45 g/mol
LogP3.75
Rot. Bonds7

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

N-[2-(dimethylamino)-2-phenylethyl]-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide (PubChem CID 110620881) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-phenylethyl]-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-phenylethyl]-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
PubChem CID110620881
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC NameN-[2-(dimethylamino)-2-phenylethyl]-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
SMILESCc1oc(-c2ccc(F)cc2)nc1CC(=O)NCC(c1ccccc1)N(C)C
InChIInChI=1S/C22H24FN3O2/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)
InChIKeyZGARMSJKZRAQST-UHFFFAOYSA-N
XLogP3.75
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(dimethylamino)-2-phenylethyl]acetamide
CID 110407171
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 27229975
2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-methoxyacetamide
CID 110611766
N-(4-hydroxy-2-methylpentyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 111447499
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 86776642
2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 110371730
N-[2-(methylamino)-2-oxoethyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 32562086
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 16621496
(2R)-2-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]-2-phenylacetamide
CID 94614527
N-(3-aminobutyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 119497322
N'-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N'-phenylacetohydrazide
CID 51112549
2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]acetamide
CID 110408424

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide?
The IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide (CID 110620881) is N-[2-(dimethylamino)-2-phenylethyl]-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-phenylethyl]-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide?
The canonical SMILES for N-[2-(dimethylamino)-2-phenylethyl]-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide is Cc1oc(-c2ccc(F)cc2)nc1CC(=O)NCC(c1ccccc1)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-2-phenylethyl]-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide?
The InChIKey is ZGARMSJKZRAQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/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 N-[2-(dimethylamino)-2-phenylethyl]-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide?
N-[2-(dimethylamino)-2-phenylethyl]-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide has a molecular weight of 381.45 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-phenylethyl]-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide is sourced from PubChem (CID 110620881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).