N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide

C17H17N3O3 — CID 129006244

IUPACN-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide
SMILESCn1cc([C@H]2OCC[C@@H]2NC(=O)c2cc3ccccc3o2)cn1
InChIInChI=1S/C17H17N3O3/c1-20-10-12(9-18-20)16-13(6-7-22-16)19-17(21)15-8-11-4-2-3-5-14(11)23-15/h2-5,8-10,13,16H,6-7H2,1H3,(H,19,21)/t13-,16+/m0/s1
InChIKeyBDWCRDZGDMTTIL-XJKSGUPXSA-N
MW311.34 g/mol
LogP2.43
Rot. Bonds3

About N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide

N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide (PubChem CID 129006244) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide
PubChem CID129006244
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide
SMILESCn1cc([C@H]2OCC[C@@H]2NC(=O)c2cc3ccccc3o2)cn1
InChIInChI=1S/C17H17N3O3/c1-20-10-12(9-18-20)16-13(6-7-22-16)19-17(21)15-8-11-4-2-3-5-14(11)23-15/h2-5,8-10,13,16H,6-7H2,1H3,(H,19,21)/t13-,16+/m0/s1
InChIKeyBDWCRDZGDMTTIL-XJKSGUPXSA-N
XLogP2.43
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide
CID 128986111
N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1,7-naphthyridine-8-carboxamide
CID 136586548
(2S)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-2-phenylpropanamide
CID 129006215
N-[2-(1-benzofuran-2-carbonylamino)cyclohexyl]-1-benzofuran-2-carboxamide
CID 171722189
N-(2-hydroxycyclohexyl)-1-benzofuran-2-carboxamide
CID 55064168
trans-(1R,2R)-2-cyclopropyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]cyclopropane-1-carboxamide
CID 129400376
1-methyl-N-[(2S,3S)-2-(4-methylphenyl)oxan-3-yl]pyrazole-4-carboxamide
CID 96565943
N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]pyrazine-2-carboxamide
CID 128992934
N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]thiophene-2-carboxamide
CID 128997659
1-[(2-fluorophenyl)methyl]-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea
CID 128968627
N-(2-aminocyclohexyl)-1-benzofuran-2-carboxamide
CID 61037356
1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 128975029

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide (CID 129006244) is N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide is Cn1cc([C@H]2OCC[C@@H]2NC(=O)c2cc3ccccc3o2)cn1.
What is the InChIKey of N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide?
The InChIKey is BDWCRDZGDMTTIL-XJKSGUPXSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-20-10-12(9-18-20)16-13(6-7-22-16)19-17(21)15-8-11-4-2-3-5-14(11)23-15/h2-5,8-10,13,16H,6-7H2,1H3,(H,19,21)/t13-,16+/m0/s1.
What are the key properties of N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide?
N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 129006244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).