2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[(2-hydroxycyclopentyl)methyl]-N-methylacetamide

C18H21FN2O3 — CID 109400397

IUPAC2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[(2-hydroxycyclopentyl)methyl]-N-methylacetamide
SMILESCN(CC1CCCC1O)C(=O)Cc1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H21FN2O3/c1-21(10-13-3-2-4-16(13)22)17(23)9-15-11-24-18(20-15)12-5-7-14(19)8-6-12/h5-8,11,13,16,22H,2-4,9-10H2,1H3
InChIKeyGRBDFGUTTQFDOM-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.64
Rot. Bonds5

About 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[(2-hydroxycyclopentyl)methyl]-N-methylacetamide

2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[(2-hydroxycyclopentyl)methyl]-N-methylacetamide (PubChem CID 109400397) has the molecular formula C18H21FN2O3 and a molecular weight of 332.38 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[(2-hydroxycyclopentyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[(2-hydroxycyclopentyl)methyl]-N-methylacetamide
PubChem CID109400397
Molecular FormulaC18H21FN2O3
Molecular Weight332.38 g/mol
Exact Mass332.15
IUPAC Name2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[(2-hydroxycyclopentyl)methyl]-N-methylacetamide
SMILESCN(CC1CCCC1O)C(=O)Cc1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H21FN2O3/c1-21(10-13-3-2-4-16(13)22)17(23)9-15-11-24-18(20-15)12-5-7-14(19)8-6-12/h5-8,11,13,16,22H,2-4,9-10H2,1H3
InChIKeyGRBDFGUTTQFDOM-UHFFFAOYSA-N
XLogP2.64
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 109400323
2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[(2-hydroxycyclopentyl)methyl]-N-methylacetamide
CID 109400116
2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119552872
2-[[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl-methylamino]methyl]cyclopentan-1-ol
CID 109398384
2-[cyclopropyl-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]amino]acetic acid
CID 119195424
N-[2-(aminomethyl)cyclopentyl]-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide
CID 119603433
2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-[(2-hydroxycyclopentyl)methyl]-N-methylacetamide
CID 109399692
5-(4-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylfuran-2-carboxamide
CID 109399945
N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylazetidin-3-amine
CID 66188313
2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119512816
(2S)-1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 119365486
2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-methyl-N-piperidin-4-ylacetamide
CID 119444124

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[(2-hydroxycyclopentyl)methyl]-N-methylacetamide?
The IUPAC name of 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[(2-hydroxycyclopentyl)methyl]-N-methylacetamide (CID 109400397) is 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[(2-hydroxycyclopentyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[(2-hydroxycyclopentyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[(2-hydroxycyclopentyl)methyl]-N-methylacetamide is CN(CC1CCCC1O)C(=O)Cc1coc(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[(2-hydroxycyclopentyl)methyl]-N-methylacetamide?
The InChIKey is GRBDFGUTTQFDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3/c1-21(10-13-3-2-4-16(13)22)17(23)9-15-11-24-18(20-15)12-5-7-14(19)8-6-12/h5-8,11,13,16,22H,2-4,9-10H2,1H3.
What are the key properties of 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[(2-hydroxycyclopentyl)methyl]-N-methylacetamide?
2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[(2-hydroxycyclopentyl)methyl]-N-methylacetamide has a molecular weight of 332.38 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[(2-hydroxycyclopentyl)methyl]-N-methylacetamide is sourced from PubChem (CID 109400397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).