N-(4-cyanophenyl)-4-(methylamino)oxolane-3-carboxamide

C13H15N3O2 — CID 66265960

IUPACN-(4-cyanophenyl)-4-(methylamino)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C13H15N3O2/c1-15-12-8-18-7-11(12)13(17)16-10-4-2-9(6-14)3-5-10/h2-5,11-12,15H,7-8H2,1H3,(H,16,17)
InChIKeyDSOZBRHATKFOMA-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.73
Rot. Bonds3

About N-(4-cyanophenyl)-4-(methylamino)oxolane-3-carboxamide

N-(4-cyanophenyl)-4-(methylamino)oxolane-3-carboxamide (PubChem CID 66265960) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-(4-cyanophenyl)-4-(methylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-4-(methylamino)oxolane-3-carboxamide
PubChem CID66265960
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-(4-cyanophenyl)-4-(methylamino)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C13H15N3O2/c1-15-12-8-18-7-11(12)13(17)16-10-4-2-9(6-14)3-5-10/h2-5,11-12,15H,7-8H2,1H3,(H,16,17)
InChIKeyDSOZBRHATKFOMA-UHFFFAOYSA-N
XLogP0.73
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methylamino)-N-[4-(methylcarbamoylamino)phenyl]oxolane-3-carboxamide
CID 66267762
N-(3-cyano-4-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66267430
N-[4-[(dimethylamino)methyl]phenyl]-4-(methylamino)oxolane-3-carboxamide
CID 66265600
trans-(1R,2R)-1-N,2-N-bis(4-cyanophenyl)cyclopropane-1,2-dicarboxamide
CID 124628395
N-(3-chloro-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66267529
N-(3-bromo-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66265081
N-[(4-cyanophenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66266207
N-(2-cyano-4-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide
CID 82016739
N-(4-bromo-2-cyanophenyl)-4-(methylamino)oxolane-3-carboxamide
CID 82708526
N-(3-carbamoyl-4-chlorophenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66265988
N-[6-(dimethylamino)-3-pyridinyl]-4-(methylamino)oxolane-3-carboxamide
CID 66266381
N-(1,3-benzothiazol-6-yl)-4-(methylamino)oxolane-3-carboxamide
CID 107805191

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-4-(methylamino)oxolane-3-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-4-(methylamino)oxolane-3-carboxamide (CID 66265960) is N-(4-cyanophenyl)-4-(methylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-4-(methylamino)oxolane-3-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-4-(methylamino)oxolane-3-carboxamide is CNC1COCC1C(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-4-(methylamino)oxolane-3-carboxamide?
The InChIKey is DSOZBRHATKFOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-15-12-8-18-7-11(12)13(17)16-10-4-2-9(6-14)3-5-10/h2-5,11-12,15H,7-8H2,1H3,(H,16,17).
What are the key properties of N-(4-cyanophenyl)-4-(methylamino)oxolane-3-carboxamide?
N-(4-cyanophenyl)-4-(methylamino)oxolane-3-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-4-(methylamino)oxolane-3-carboxamide is sourced from PubChem (CID 66265960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).