N-[2-(aminomethyl)cyclopentyl]-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide

C17H20FN3O2 — CID 119603433

IUPACN-[2-(aminomethyl)cyclopentyl]-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide
SMILESNCC1CCCC1NC(=O)Cc1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H20FN3O2/c18-13-6-4-11(5-7-13)17-20-14(10-23-17)8-16(22)21-15-3-1-2-12(15)9-19/h4-7,10,12,15H,1-3,8-9,19H2,(H,21,22)
InChIKeyPQHHIKLUZRNDIA-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.27
Rot. Bonds5

About N-[2-(aminomethyl)cyclopentyl]-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide

N-[2-(aminomethyl)cyclopentyl]-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide (PubChem CID 119603433) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide
PubChem CID119603433
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide
SMILESNCC1CCCC1NC(=O)Cc1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H20FN3O2/c18-13-6-4-11(5-7-13)17-20-14(10-23-17)8-16(22)21-15-3-1-2-12(15)9-19/h4-7,10,12,15H,1-3,8-9,19H2,(H,21,22)
InChIKeyPQHHIKLUZRNDIA-UHFFFAOYSA-N
XLogP2.27
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminocyclohexyl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide;dihydrochloride
CID 119477271
2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119512816
2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[(1-hydroxycyclopentyl)methyl]acetamide
CID 111332922
2-(2-phenyl-1,3-oxazol-4-yl)-N-(2-propan-2-ylcyclopentyl)acetamide
CID 167926329
2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[(2-hydroxycyclopentyl)methyl]-N-methylacetamide
CID 109400397
N-(3-amino-2-methylpropyl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide;dihydrochloride
CID 119998364
N-[2-(aminomethyl)cyclopentyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride
CID 119600626
2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(oxan-2-ylmethylsulfonyl)acetamide
CID 102557126
N-[2-(aminomethyl)cyclohexyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 119609271
1-[(3R)-3-aminopyrrolidin-1-yl]-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanone
CID 119411851
1-[2-(hydroxymethyl)cyclohexyl]-3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]urea
CID 111631266
2-[cyclopropyl-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]amino]acetic acid
CID 119195424

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide (CID 119603433) is N-[2-(aminomethyl)cyclopentyl]-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide is NCC1CCCC1NC(=O)Cc1coc(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide?
The InChIKey is PQHHIKLUZRNDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c18-13-6-4-11(5-7-13)17-20-14(10-23-17)8-16(22)21-15-3-1-2-12(15)9-19/h4-7,10,12,15H,1-3,8-9,19H2,(H,21,22).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide?
N-[2-(aminomethyl)cyclopentyl]-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide has a molecular weight of 317.36 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide is sourced from PubChem (CID 119603433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).