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

C21H28FN3O2 — CID 60509408

IUPACN-[cyclopentyl-(4-fluorophenyl)methyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]acetamide
SMILESCc1noc(C)c1CN(C)CC(=O)NC(c1ccc(F)cc1)C1CCCC1
InChIInChI=1S/C21H28FN3O2/c1-14-19(15(2)27-24-14)12-25(3)13-20(26)23-21(16-6-4-5-7-16)17-8-10-18(22)11-9-17/h8-11,16,21H,4-7,12-13H2,1-3H3,(H,23,26)
InChIKeyLGONVOGEOYLWFW-UHFFFAOYSA-N
MW373.47 g/mol
LogP3.91
Rot. Bonds7

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

N-[cyclopentyl-(4-fluorophenyl)methyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]acetamide (PubChem CID 60509408) has the molecular formula C21H28FN3O2 and a molecular weight of 373.47 g/mol. Its IUPAC name is N-[cyclopentyl-(4-fluorophenyl)methyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[cyclopentyl-(4-fluorophenyl)methyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]acetamide
PubChem CID60509408
Molecular FormulaC21H28FN3O2
Molecular Weight373.47 g/mol
Exact Mass373.22
IUPAC NameN-[cyclopentyl-(4-fluorophenyl)methyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]acetamide
SMILESCc1noc(C)c1CN(C)CC(=O)NC(c1ccc(F)cc1)C1CCCC1
InChIInChI=1S/C21H28FN3O2/c1-14-19(15(2)27-24-14)12-25(3)13-20(26)23-21(16-6-4-5-7-16)17-8-10-18(22)11-9-17/h8-11,16,21H,4-7,12-13H2,1-3H3,(H,23,26)
InChIKeyLGONVOGEOYLWFW-UHFFFAOYSA-N
XLogP3.91
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[cyclopentyl-(4-fluorophenyl)methyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]acetamide with MolForge

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Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]propanamide
CID 94633577
N-[(4-bromophenyl)-cyclobutylmethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 55915480
N-[(R)-cyclopropyl(phenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 93235402
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 38302891
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide
CID 18200774
N-[cyclopentyl-(4-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride
CID 119735348
N-[cyclopropyl(phenyl)methyl]-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 86918867
3-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-1-methyl-1-[2-(1,2,4-triazol-4-yl)ethyl]urea
CID 97223637
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N,N-dimethylacetamide
CID 47010607
4-amino-N-[cyclopentyl-(4-fluorophenyl)methyl]-3-methoxybutanamide
CID 120589394
N-[cyclobutyl-(4-fluorophenyl)methyl]-4-(methylamino)butanamide
CID 119775061
4-amino-N-[cyclopentyl-(4-fluorophenyl)methyl]-3-methoxybutanamide;hydrochloride
CID 120589393

Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl-(4-fluorophenyl)methyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]acetamide?
The IUPAC name of N-[cyclopentyl-(4-fluorophenyl)methyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]acetamide (CID 60509408) is N-[cyclopentyl-(4-fluorophenyl)methyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]acetamide.
What is the SMILES notation for N-[cyclopentyl-(4-fluorophenyl)methyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]acetamide?
The canonical SMILES for N-[cyclopentyl-(4-fluorophenyl)methyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]acetamide is Cc1noc(C)c1CN(C)CC(=O)NC(c1ccc(F)cc1)C1CCCC1.
What is the InChIKey of N-[cyclopentyl-(4-fluorophenyl)methyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]acetamide?
The InChIKey is LGONVOGEOYLWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN3O2/c1-14-19(15(2)27-24-14)12-25(3)13-20(26)23-21(16-6-4-5-7-16)17-8-10-18(22)11-9-17/h8-11,16,21H,4-7,12-13H2,1-3H3,(H,23,26).
What are the key properties of N-[cyclopentyl-(4-fluorophenyl)methyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]acetamide?
N-[cyclopentyl-(4-fluorophenyl)methyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]acetamide has a molecular weight of 373.47 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopentyl-(4-fluorophenyl)methyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]acetamide is sourced from PubChem (CID 60509408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).