N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide

C18H15F2N3O3 — CID 167797599

IUPACN-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
SMILESO=C(NCc1cc(-c2ccc(F)cc2F)on1)c1onc2c1CCCC2
InChIInChI=1S/C18H15F2N3O3/c19-10-5-6-12(14(20)7-10)16-8-11(22-25-16)9-21-18(24)17-13-3-1-2-4-15(13)23-26-17/h5-8H,1-4,9H2,(H,21,24)
InChIKeyLWHYDOYYXBHECU-UHFFFAOYSA-N
MW359.33 g/mol
LogP3.42
Rot. Bonds4

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

N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide (PubChem CID 167797599) has the molecular formula C18H15F2N3O3 and a molecular weight of 359.33 g/mol. Its IUPAC name is N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
PubChem CID167797599
Molecular FormulaC18H15F2N3O3
Molecular Weight359.33 g/mol
Exact Mass359.11
IUPAC NameN-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
SMILESO=C(NCc1cc(-c2ccc(F)cc2F)on1)c1onc2c1CCCC2
InChIInChI=1S/C18H15F2N3O3/c19-10-5-6-12(14(20)7-10)16-8-11(22-25-16)9-21-18(24)17-13-3-1-2-4-15(13)23-26-17/h5-8H,1-4,9H2,(H,21,24)
InChIKeyLWHYDOYYXBHECU-UHFFFAOYSA-N
XLogP3.42
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]acetamide
CID 27555557
2-(1,2-benzoxazol-3-yl)-N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]acetamide
CID 45497823
N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-4-oxochromene-2-carboxamide
CID 27567867
N-[(4-carbamoylfuran-2-yl)methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
CID 138035110
2-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 30850480
N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 27567898
N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
CID 122131376
N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-4-methylbenzamide
CID 16866853
N-[[(2R)-5-fluoro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
CID 126434484
4-bromo-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866880
[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl 4-pyrrolidin-1-ylsulfonylbenzoate
CID 27548963
2-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-1-(2,3-dihydroindol-1-yl)ethanone
CID 27375820

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide?
The IUPAC name of N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide (CID 167797599) is N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide.
What is the SMILES notation for N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide?
The canonical SMILES for N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide is O=C(NCc1cc(-c2ccc(F)cc2F)on1)c1onc2c1CCCC2.
What is the InChIKey of N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide?
The InChIKey is LWHYDOYYXBHECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O3/c19-10-5-6-12(14(20)7-10)16-8-11(22-25-16)9-21-18(24)17-13-3-1-2-4-15(13)23-26-17/h5-8H,1-4,9H2,(H,21,24).
What are the key properties of N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide?
N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide has a molecular weight of 359.33 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide is sourced from PubChem (CID 167797599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).