N-[2-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxypropyl]-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide

C21H19ClF2N2O3 — CID 154864262

IUPACN-[2-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxypropyl]-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide
SMILESO=C(Cc1coc(-c2ccc(F)cc2)n1)NCC(CO)Cc1c(F)cccc1Cl
InChIInChI=1S/C21H19ClF2N2O3/c22-18-2-1-3-19(24)17(18)8-13(11-27)10-25-20(28)9-16-12-29-21(26-16)14-4-6-15(23)7-5-14/h1-7,12-13,27H,8-11H2,(H,25,28)
InChIKeyTWCWFJZEGOLNGC-UHFFFAOYSA-N
MW420.84 g/mol
LogP3.78
Rot. Bonds8

About N-[2-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxypropyl]-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide

N-[2-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxypropyl]-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide (PubChem CID 154864262) has the molecular formula C21H19ClF2N2O3 and a molecular weight of 420.84 g/mol. Its IUPAC name is N-[2-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxypropyl]-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxypropyl]-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide
PubChem CID154864262
Molecular FormulaC21H19ClF2N2O3
Molecular Weight420.84 g/mol
Exact Mass420.11
IUPAC NameN-[2-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxypropyl]-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide
SMILESO=C(Cc1coc(-c2ccc(F)cc2)n1)NCC(CO)Cc1c(F)cccc1Cl
InChIInChI=1S/C21H19ClF2N2O3/c22-18-2-1-3-19(24)17(18)8-13(11-27)10-25-20(28)9-16-12-29-21(26-16)14-4-6-15(23)7-5-14/h1-7,12-13,27H,8-11H2,(H,25,28)
InChIKeyTWCWFJZEGOLNGC-UHFFFAOYSA-N
XLogP3.78
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.84
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2-methylpropyl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide;dihydrochloride
CID 119998364
3-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-2-methylpropanoic acid
CID 84588911
2,3-difluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]benzamide
CID 146122387
2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(3-hydroxy-4-methylpentyl)acetamide
CID 111460664
2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[(1-hydroxycyclopentyl)methyl]acetamide
CID 111332922
N-[2-(2-fluorophenyl)ethyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 39441204
1-[(2R)-2-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxypropyl]-3-pyridin-3-ylurea
CID 97218475
2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119512816
1-[2-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxypropyl]-3-(1H-indol-6-yl)urea
CID 167907490
N-(3-aminobutyl)-2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetamide
CID 119499058
N-[2-(3-fluorophenyl)ethyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 29292797
2,5-difluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]benzamide
CID 52855097

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxypropyl]-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide?
The IUPAC name of N-[2-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxypropyl]-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide (CID 154864262) is N-[2-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxypropyl]-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide.
What is the SMILES notation for N-[2-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxypropyl]-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide?
The canonical SMILES for N-[2-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxypropyl]-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide is O=C(Cc1coc(-c2ccc(F)cc2)n1)NCC(CO)Cc1c(F)cccc1Cl.
What is the InChIKey of N-[2-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxypropyl]-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide?
The InChIKey is TWCWFJZEGOLNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClF2N2O3/c22-18-2-1-3-19(24)17(18)8-13(11-27)10-25-20(28)9-16-12-29-21(26-16)14-4-6-15(23)7-5-14/h1-7,12-13,27H,8-11H2,(H,25,28).
What are the key properties of N-[2-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxypropyl]-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide?
N-[2-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxypropyl]-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide has a molecular weight of 420.84 g/mol, XLogP of 3.78, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxypropyl]-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide is sourced from PubChem (CID 154864262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).