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

C20H19F2N3O2 — CID 8847354

IUPACN-(3-fluorophenyl)-2-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl-methylamino]acetamide
SMILESCc1c(CN(C)CC(=O)Nc2cccc(F)c2)noc1-c1ccc(F)cc1
InChIInChI=1S/C20H19F2N3O2/c1-13-18(24-27-20(13)14-6-8-15(21)9-7-14)11-25(2)12-19(26)23-17-5-3-4-16(22)10-17/h3-10H,11-12H2,1-2H3,(H,23,26)
InChIKeyNKAOWKHHUVSDCR-UHFFFAOYSA-N
MW371.39 g/mol
LogP4.00
Rot. Bonds6

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

N-(3-fluorophenyl)-2-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl-methylamino]acetamide (PubChem CID 8847354) has the molecular formula C20H19F2N3O2 and a molecular weight of 371.39 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl-methylamino]acetamide
PubChem CID8847354
Molecular FormulaC20H19F2N3O2
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC NameN-(3-fluorophenyl)-2-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl-methylamino]acetamide
SMILESCc1c(CN(C)CC(=O)Nc2cccc(F)c2)noc1-c1ccc(F)cc1
InChIInChI=1S/C20H19F2N3O2/c1-13-18(24-27-20(13)14-6-8-15(21)9-7-14)11-25(2)12-19(26)23-17-5-3-4-16(22)10-17/h3-10H,11-12H2,1-2H3,(H,23,26)
InChIKeyNKAOWKHHUVSDCR-UHFFFAOYSA-N
XLogP4.00
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2714145
N-(3-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 9223772
N-(3-fluorophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]acetamide
CID 2658590
2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide
CID 120750559
2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetic acid
CID 14802232
N-(3-fluorophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 9049384
methyl 2-[[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]methyl]-4-methylquinoline-3-carboxylate
CID 8846540
N-(3-bromophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2658798
2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide
CID 2658580
2-[(3-fluorophenyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8909173
N-(3-fluorophenyl)-2-[methyl-[(4-nitrophenyl)methyl]amino]acetamide
CID 9250556
2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide
CID 9250444

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl-methylamino]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl-methylamino]acetamide (CID 8847354) is N-(3-fluorophenyl)-2-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl-methylamino]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl-methylamino]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl-methylamino]acetamide is Cc1c(CN(C)CC(=O)Nc2cccc(F)c2)noc1-c1ccc(F)cc1.
What is the InChIKey of N-(3-fluorophenyl)-2-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl-methylamino]acetamide?
The InChIKey is NKAOWKHHUVSDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O2/c1-13-18(24-27-20(13)14-6-8-15(21)9-7-14)11-25(2)12-19(26)23-17-5-3-4-16(22)10-17/h3-10H,11-12H2,1-2H3,(H,23,26).
What are the key properties of N-(3-fluorophenyl)-2-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl-methylamino]acetamide?
N-(3-fluorophenyl)-2-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl-methylamino]acetamide has a molecular weight of 371.39 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl-methylamino]acetamide is sourced from PubChem (CID 8847354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).