N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]oxolane-2-carboxamide

C16H12ClF2N3O4 — CID 54578409

IUPACN-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]oxolane-2-carboxamide
SMILESO=C(Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)C1CCCO1
InChIInChI=1S/C16H12ClF2N3O4/c17-9-5-13-12(25-16(18,19)26-13)4-8(9)10-6-21-14(7-20-10)22-15(23)11-2-1-3-24-11/h4-7,11H,1-3H2,(H,21,22,23)
InChIKeySNGPUFSYYCNHBU-UHFFFAOYSA-N
MW383.74 g/mol
LogP3.24
Rot. Bonds3

About N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]oxolane-2-carboxamide

N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]oxolane-2-carboxamide (PubChem CID 54578409) has the molecular formula C16H12ClF2N3O4 and a molecular weight of 383.74 g/mol. Its IUPAC name is N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]oxolane-2-carboxamide
PubChem CID54578409
Molecular FormulaC16H12ClF2N3O4
Molecular Weight383.74 g/mol
Exact Mass383.05
IUPAC NameN-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]oxolane-2-carboxamide
SMILESO=C(Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)C1CCCO1
InChIInChI=1S/C16H12ClF2N3O4/c17-9-5-13-12(25-16(18,19)26-13)4-8(9)10-6-21-14(7-20-10)22-15(23)11-2-1-3-24-11/h4-7,11H,1-3H2,(H,21,22,23)
InChIKeySNGPUFSYYCNHBU-UHFFFAOYSA-N
XLogP3.24
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.74
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrazin-2-yl]cyclopentanecarboxamide
CID 58487076
N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]butanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]cyclobutanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]acetamide;bis(N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclohexanecarboxamide);N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methoxyacetamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]oxane-2-carboxamide
CID 160524481
N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]pentanamide
CID 58486674
N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,4-dimethyl-3H-pyrrole-5-carboxamide
CID 90394560
3-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-benzothiophene-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]oxolane-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopropanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methyl-1-benzofuran-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]oxolane-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]prop-2-enamide
CID 159722383
(2R)-N-[5-(5-bromo-2-chlorophenyl)-1H-pyrazol-3-yl]oxolane-2-carboxamide
CID 52517109
(2S)-N-(5-iodo-2-pyridinyl)oxolane-2-carboxamide
CID 103873257
(2S)-N-(5-bromo-2-pyridinyl)oxolane-2-carboxamide
CID 7346608
3-[[(2S)-oxolane-2-carbonyl]amino]-1H-pyrazole-5-carboxylic acid
CID 104855741
(2S)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 903662
(2S)-N-(5-propan-2-yl-1H-pyrazol-3-yl)oxolane-2-carboxamide
CID 103872756
N-(2-chloro-5-methyl-3-pyridinyl)oxolane-2-carboxamide
CID 102979589

Frequently Asked Questions

What is the IUPAC name of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]oxolane-2-carboxamide?
The IUPAC name of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]oxolane-2-carboxamide (CID 54578409) is N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]oxolane-2-carboxamide.
What is the SMILES notation for N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]oxolane-2-carboxamide?
The canonical SMILES for N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]oxolane-2-carboxamide is O=C(Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)C1CCCO1.
What is the InChIKey of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]oxolane-2-carboxamide?
The InChIKey is SNGPUFSYYCNHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF2N3O4/c17-9-5-13-12(25-16(18,19)26-13)4-8(9)10-6-21-14(7-20-10)22-15(23)11-2-1-3-24-11/h4-7,11H,1-3H2,(H,21,22,23).
What are the key properties of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]oxolane-2-carboxamide?
N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]oxolane-2-carboxamide has a molecular weight of 383.74 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]oxolane-2-carboxamide is sourced from PubChem (CID 54578409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).