N-(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(oxan-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C19H23FN2O3 — CID 155958141

IUPACN-(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(oxan-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NC1CCCc2cc(F)ccc21)C1CC(C2CCOCC2)=NO1
InChIInChI=1S/C19H23FN2O3/c20-14-4-5-15-13(10-14)2-1-3-16(15)21-19(23)18-11-17(22-25-18)12-6-8-24-9-7-12/h4-5,10,12,16,18H,1-3,6-9,11H2,(H,21,23)
InChIKeyZXEITFJICYXQBB-UHFFFAOYSA-N
MW346.40 g/mol
LogP2.89
Rot. Bonds3

About N-(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(oxan-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

N-(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(oxan-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 155958141) has the molecular formula C19H23FN2O3 and a molecular weight of 346.40 g/mol. Its IUPAC name is N-(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(oxan-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(oxan-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID155958141
Molecular FormulaC19H23FN2O3
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC NameN-(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(oxan-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NC1CCCc2cc(F)ccc21)C1CC(C2CCOCC2)=NO1
InChIInChI=1S/C19H23FN2O3/c20-14-4-5-15-13(10-14)2-1-3-16(15)21-19(23)18-11-17(22-25-18)12-6-8-24-9-7-12/h4-5,10,12,16,18H,1-3,6-9,11H2,(H,21,23)
InChIKeyZXEITFJICYXQBB-UHFFFAOYSA-N
XLogP2.89
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 155957381
N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-3-cyclopropyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 155961618
(2R)-N-[(1R)-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-6-oxopiperidine-2-carboxamide
CID 146129673
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)oxane-4-carboxamide
CID 116649753
N-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]cyclobutanecarboxamide
CID 94198795
3-(3-fluorophenyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 51089109
3-[2-[(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl]benzoic acid
CID 120552371
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 60574244
3-(aminomethyl)-N-[(1R)-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 124854722
3-(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1-methyl-1-[(5-methyl-2-pyridinyl)methyl]urea
CID 119045926
N-[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-3-cyclopropyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 155959173
N-cyclohexyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 46427951

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(oxan-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(oxan-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 155958141) is N-(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(oxan-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(oxan-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(oxan-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(NC1CCCc2cc(F)ccc21)C1CC(C2CCOCC2)=NO1.
What is the InChIKey of N-(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(oxan-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is ZXEITFJICYXQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3/c20-14-4-5-15-13(10-14)2-1-3-16(15)21-19(23)18-11-17(22-25-18)12-6-8-24-9-7-12/h4-5,10,12,16,18H,1-3,6-9,11H2,(H,21,23).
What are the key properties of N-(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(oxan-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(oxan-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 346.40 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(oxan-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 155958141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).