N-[5-(diethylamino)pentan-2-yl]-3-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide

C21H28F3N3O3 — CID 46097293

IUPACN-[5-(diethylamino)pentan-2-yl]-3-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide
SMILESCCN(CC)CCCC(C)NC(=O)c1c(C)noc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C21H28F3N3O3/c1-5-27(6-2)13-7-8-14(3)25-20(28)18-15(4)26-30-19(18)16-9-11-17(12-10-16)29-21(22,23)24/h9-12,14H,5-8,13H2,1-4H3,(H,25,28)
InChIKeyJZGRLTAOQLJTGP-UHFFFAOYSA-N
MW427.47 g/mol
LogP4.79
Rot. Bonds10

About N-[5-(diethylamino)pentan-2-yl]-3-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide

N-[5-(diethylamino)pentan-2-yl]-3-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 46097293) has the molecular formula C21H28F3N3O3 and a molecular weight of 427.47 g/mol. Its IUPAC name is N-[5-(diethylamino)pentan-2-yl]-3-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-(diethylamino)pentan-2-yl]-3-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide
PubChem CID46097293
Molecular FormulaC21H28F3N3O3
Molecular Weight427.47 g/mol
Exact Mass427.21
IUPAC NameN-[5-(diethylamino)pentan-2-yl]-3-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide
SMILESCCN(CC)CCCC(C)NC(=O)c1c(C)noc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C21H28F3N3O3/c1-5-27(6-2)13-7-8-14(3)25-20(28)18-15(4)26-30-19(18)16-9-11-17(12-10-16)29-21(22,23)24/h9-12,14H,5-8,13H2,1-4H3,(H,25,28)
InChIKeyJZGRLTAOQLJTGP-UHFFFAOYSA-N
XLogP4.79
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.47
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[(2S)-4-phenylbutan-2-yl]-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide
CID 92768024
3-methyl-N-[(1R)-1-phenylethyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide
CID 92767787
2-[[(2R)-5-(diethylamino)pentan-2-yl]amino]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 139470230
4-(trifluoromethoxy)-N-[8-[[4-(trifluoromethoxy)benzoyl]amino]nonan-2-yl]benzamide
CID 21452885
N-[5-(diethylamino)pentan-2-yl]-4-(trifluoromethyl)benzamide
CID 4535202
1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]guanidine;hydroiodide
CID 110998758
N-[5-(diethylamino)pentan-2-yl]-8-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
CID 46092656
5-(1,3-benzodioxol-5-yl)-3-methyl-N-[(2S)-4-phenylbutan-2-yl]-1,2-oxazole-4-carboxamide
CID 92767319
5-(4-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]-1,2-oxazole-4-carboxamide
CID 51699745
N-[5-(diethylamino)pentan-2-yl]-1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 4563606
N-(2-ethoxyethyl)-5-(4-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 46096975
N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 97314890

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylamino)pentan-2-yl]-3-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[5-(diethylamino)pentan-2-yl]-3-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide (CID 46097293) is N-[5-(diethylamino)pentan-2-yl]-3-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[5-(diethylamino)pentan-2-yl]-3-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[5-(diethylamino)pentan-2-yl]-3-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide is CCN(CC)CCCC(C)NC(=O)c1c(C)noc1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[5-(diethylamino)pentan-2-yl]-3-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is JZGRLTAOQLJTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28F3N3O3/c1-5-27(6-2)13-7-8-14(3)25-20(28)18-15(4)26-30-19(18)16-9-11-17(12-10-16)29-21(22,23)24/h9-12,14H,5-8,13H2,1-4H3,(H,25,28).
What are the key properties of N-[5-(diethylamino)pentan-2-yl]-3-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide?
N-[5-(diethylamino)pentan-2-yl]-3-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 427.47 g/mol, XLogP of 4.79, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylamino)pentan-2-yl]-3-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46097293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).