4-cyano-N-[(2S,3R)-2-(3,4-difluorophenyl)oxolan-3-yl]oxane-4-carboxamide

C17H18F2N2O3 — CID 139021703

IUPAC4-cyano-N-[(2S,3R)-2-(3,4-difluorophenyl)oxolan-3-yl]oxane-4-carboxamide
SMILESN#CC1(C(=O)N[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)CCOCC1
InChIInChI=1S/C17H18F2N2O3/c18-12-2-1-11(9-13(12)19)15-14(3-6-24-15)21-16(22)17(10-20)4-7-23-8-5-17/h1-2,9,14-15H,3-8H2,(H,21,22)/t14-,15+/m1/s1
InChIKeyLHMFIJNYVAQWCK-CABCVRRESA-N
MW336.34 g/mol
LogP2.23
Rot. Bonds3

About 4-cyano-N-[(2S,3R)-2-(3,4-difluorophenyl)oxolan-3-yl]oxane-4-carboxamide

4-cyano-N-[(2S,3R)-2-(3,4-difluorophenyl)oxolan-3-yl]oxane-4-carboxamide (PubChem CID 139021703) has the molecular formula C17H18F2N2O3 and a molecular weight of 336.34 g/mol. Its IUPAC name is 4-cyano-N-[(2S,3R)-2-(3,4-difluorophenyl)oxolan-3-yl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-cyano-N-[(2S,3R)-2-(3,4-difluorophenyl)oxolan-3-yl]oxane-4-carboxamide
PubChem CID139021703
Molecular FormulaC17H18F2N2O3
Molecular Weight336.34 g/mol
Exact Mass336.13
IUPAC Name4-cyano-N-[(2S,3R)-2-(3,4-difluorophenyl)oxolan-3-yl]oxane-4-carboxamide
SMILESN#CC1(C(=O)N[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)CCOCC1
InChIInChI=1S/C17H18F2N2O3/c18-12-2-1-11(9-13(12)19)15-14(3-6-24-15)21-16(22)17(10-20)4-7-23-8-5-17/h1-2,9,14-15H,3-8H2,(H,21,22)/t14-,15+/m1/s1
InChIKeyLHMFIJNYVAQWCK-CABCVRRESA-N
XLogP2.23
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-cyano-N-[(2S,3R)-2-(3,4-difluorophenyl)oxolan-3-yl]oxane-4-carboxamide with MolForge

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Related Compounds

2-(cyanomethylsulfanyl)-N-[(2S,3R)-2-(3,4-difluorophenyl)oxolan-3-yl]acetamide
CID 139021696
4-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]-4-oxobutanoic acid
CID 120552158
1-(2-cyclopropylethyl)-3-[2-(3,4-difluorophenyl)oxolan-3-yl]urea
CID 75444523
3-amino-N-[2-(3,4-difluorophenyl)oxolan-3-yl]butanamide
CID 120874088
N-[(2S,3R)-2-(3,4-difluorophenyl)oxolan-3-yl]-2-methyl-3-methylsulfanylpropanamide
CID 139021702
3-[(2S,3S)-2-(3,4-difluorophenyl)oxolan-3-yl]-1-[2-(dimethylamino)ethyl]-1-methylurea
CID 97335969
3-[2-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]-2-oxoethyl]benzoic acid
CID 120552164
N-[(3S,4R)-1-benzyl-4-cyclopropylpyrrolidin-3-yl]-4-cyanooxane-4-carboxamide
CID 133121305
1-[[2-(3,4-difluorophenyl)oxolan-3-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122009089
3-[(2R,3R)-2-(3,4-difluorophenyl)oxolan-3-yl]-1-methyl-1-(pyridin-4-ylmethyl)urea
CID 97259063
4-cyano-N-(3-tricyclo[3.2.1.02,4]octanyl)oxane-4-carboxamide
CID 103767150
2-(3,4-difluorophenyl)oxolan-3-amine
CID 71683254

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(2S,3R)-2-(3,4-difluorophenyl)oxolan-3-yl]oxane-4-carboxamide?
The IUPAC name of 4-cyano-N-[(2S,3R)-2-(3,4-difluorophenyl)oxolan-3-yl]oxane-4-carboxamide (CID 139021703) is 4-cyano-N-[(2S,3R)-2-(3,4-difluorophenyl)oxolan-3-yl]oxane-4-carboxamide.
What is the SMILES notation for 4-cyano-N-[(2S,3R)-2-(3,4-difluorophenyl)oxolan-3-yl]oxane-4-carboxamide?
The canonical SMILES for 4-cyano-N-[(2S,3R)-2-(3,4-difluorophenyl)oxolan-3-yl]oxane-4-carboxamide is N#CC1(C(=O)N[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)CCOCC1.
What is the InChIKey of 4-cyano-N-[(2S,3R)-2-(3,4-difluorophenyl)oxolan-3-yl]oxane-4-carboxamide?
The InChIKey is LHMFIJNYVAQWCK-CABCVRRESA-N. The full InChI is InChI=1S/C17H18F2N2O3/c18-12-2-1-11(9-13(12)19)15-14(3-6-24-15)21-16(22)17(10-20)4-7-23-8-5-17/h1-2,9,14-15H,3-8H2,(H,21,22)/t14-,15+/m1/s1.
What are the key properties of 4-cyano-N-[(2S,3R)-2-(3,4-difluorophenyl)oxolan-3-yl]oxane-4-carboxamide?
4-cyano-N-[(2S,3R)-2-(3,4-difluorophenyl)oxolan-3-yl]oxane-4-carboxamide has a molecular weight of 336.34 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[(2S,3R)-2-(3,4-difluorophenyl)oxolan-3-yl]oxane-4-carboxamide is sourced from PubChem (CID 139021703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).