N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

C19H19FN2O3 — CID 86878186

IUPACN-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESCc1c(C(C)NC(=O)c2noc3c2CCCC3)oc2ccc(F)cc12
InChIInChI=1S/C19H19FN2O3/c1-10-14-9-12(20)7-8-15(14)24-18(10)11(2)21-19(23)17-13-5-3-4-6-16(13)25-22-17/h7-9,11H,3-6H2,1-2H3,(H,21,23)
InChIKeySMHNLEWNOTWVGX-UHFFFAOYSA-N
MW342.37 g/mol
LogP4.24
Rot. Bonds3

About N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (PubChem CID 86878186) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
PubChem CID86878186
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC NameN-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESCc1c(C(C)NC(=O)c2noc3c2CCCC3)oc2ccc(F)cc12
InChIInChI=1S/C19H19FN2O3/c1-10-14-9-12(20)7-8-15(14)24-18(10)11(2)21-19(23)17-13-5-3-4-6-16(13)25-22-17/h7-9,11H,3-6H2,1-2H3,(H,21,23)
InChIKeySMHNLEWNOTWVGX-UHFFFAOYSA-N
XLogP4.24
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide with MolForge

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Related Compounds

N-[(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]azetidine-1-carboxamide
CID 95333207
N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111537749
1-(2-aminopyrimidin-5-yl)-3-[(1R)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]urea
CID 166531837
N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 51392315
N-butan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 5079297
3-[[(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]propanamide
CID 95325813
N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111438593
1-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111505700
ethyl (3R)-3-(4-fluorophenyl)-3-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carbonylamino)propanoate
CID 124573025
N'-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-N-[3-(2-methylpropanoylamino)phenyl]oxamide
CID 86881184
N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide
CID 86880098
(2S)-2-phenyl-2-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonylamino)acetic acid
CID 97310654

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The IUPAC name of N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (CID 86878186) is N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is Cc1c(C(C)NC(=O)c2noc3c2CCCC3)oc2ccc(F)cc12.
What is the InChIKey of N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The InChIKey is SMHNLEWNOTWVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-10-14-9-12(20)7-8-15(14)24-18(10)11(2)21-19(23)17-13-5-3-4-6-16(13)25-22-17/h7-9,11H,3-6H2,1-2H3,(H,21,23).
What are the key properties of N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide has a molecular weight of 342.37 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 86878186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).