N-[(4-fluorophenyl)methyl]-3-methyl-N-pentyl-1,2-oxazole-5-carboxamide

C17H21FN2O2 — CID 78810477

IUPACN-[(4-fluorophenyl)methyl]-3-methyl-N-pentyl-1,2-oxazole-5-carboxamide
SMILESCCCCCN(Cc1ccc(F)cc1)C(=O)c1cc(C)no1
InChIInChI=1S/C17H21FN2O2/c1-3-4-5-10-20(12-14-6-8-15(18)9-7-14)17(21)16-11-13(2)19-22-16/h6-9,11H,3-5,10,12H2,1-2H3
InChIKeyPCPLHPNGYZOMLK-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.95
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-3-methyl-N-pentyl-1,2-oxazole-5-carboxamide

N-[(4-fluorophenyl)methyl]-3-methyl-N-pentyl-1,2-oxazole-5-carboxamide (PubChem CID 78810477) has the molecular formula C17H21FN2O2 and a molecular weight of 304.37 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-methyl-N-pentyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-methyl-N-pentyl-1,2-oxazole-5-carboxamide
PubChem CID78810477
Molecular FormulaC17H21FN2O2
Molecular Weight304.37 g/mol
Exact Mass304.16
IUPAC NameN-[(4-fluorophenyl)methyl]-3-methyl-N-pentyl-1,2-oxazole-5-carboxamide
SMILESCCCCCN(Cc1ccc(F)cc1)C(=O)c1cc(C)no1
InChIInChI=1S/C17H21FN2O2/c1-3-4-5-10-20(12-14-6-8-15(18)9-7-14)17(21)16-11-13(2)19-22-16/h6-9,11H,3-5,10,12H2,1-2H3
InChIKeyPCPLHPNGYZOMLK-UHFFFAOYSA-N
XLogP3.95
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-3-methyl-N-(2-phenylethyl)-1,2-oxazole-5-carboxamide
CID 78811228
N-benzyl-N-[2-(dimethylamino)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 78811482
N-benzyl-3-methyl-N-(3,3,3-trifluoropropyl)-1,2-oxazole-5-carboxamide
CID 86819641
2-amino-N-[(4-fluorophenyl)methyl]-N-pentylacetamide;hydrochloride
CID 119270984
N-[(4-fluorophenyl)methyl]-1,3-dimethyl-N-pentylthieno[3,2-d]pyrazole-5-carboxamide
CID 55495175
N-butyl-N-[(4-fluorophenyl)methyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 74240716
N-[(4-fluorophenyl)methyl]-3-methyl-4-oxo-N-pentyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 55756438
(2S,4S)-N-[(4-fluorophenyl)methyl]-2-methyl-N-pentylpiperidine-4-carboxamide;hydrochloride
CID 120618183
3-methyl-N-pentyl-1,2-oxazole-5-carboxamide
CID 137320445
ethyl 2-[(4-fluorophenyl)methyl-(3-methyl-1,2-oxazole-5-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 55389451
5-methyl-N,N-dipentylfuran-2-carboxamide
CID 3319656
N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-4-methyl-N-pentylbenzamide
CID 4684225

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-methyl-N-pentyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-methyl-N-pentyl-1,2-oxazole-5-carboxamide (CID 78810477) is N-[(4-fluorophenyl)methyl]-3-methyl-N-pentyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-methyl-N-pentyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-methyl-N-pentyl-1,2-oxazole-5-carboxamide is CCCCCN(Cc1ccc(F)cc1)C(=O)c1cc(C)no1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-methyl-N-pentyl-1,2-oxazole-5-carboxamide?
The InChIKey is PCPLHPNGYZOMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2/c1-3-4-5-10-20(12-14-6-8-15(18)9-7-14)17(21)16-11-13(2)19-22-16/h6-9,11H,3-5,10,12H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-3-methyl-N-pentyl-1,2-oxazole-5-carboxamide?
N-[(4-fluorophenyl)methyl]-3-methyl-N-pentyl-1,2-oxazole-5-carboxamide has a molecular weight of 304.37 g/mol, XLogP of 3.95, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-methyl-N-pentyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 78810477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).