(2S,3S)-2-(1-benzylpyrazol-4-yl)-N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]oxolane-3-carboxamide

C23H23N3O3 — CID 129325519

IUPAC(2S,3S)-2-(1-benzylpyrazol-4-yl)-N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]oxolane-3-carboxamide
SMILESO=C(N[C@@H]1COc2ccccc21)[C@H]1CCO[C@@H]1c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C23H23N3O3/c27-23(25-20-15-29-21-9-5-4-8-18(20)21)19-10-11-28-22(19)17-12-24-26(14-17)13-16-6-2-1-3-7-16/h1-9,12,14,19-20,22H,10-11,13,15H2,(H,25,27)/t19-,20+,22+/m0/s1
InChIKeyZGFDMZDTWVRSGL-TUNNFDKTSA-N
MW389.46 g/mol
LogP3.26
Rot. Bonds5

About (2S,3S)-2-(1-benzylpyrazol-4-yl)-N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]oxolane-3-carboxamide

(2S,3S)-2-(1-benzylpyrazol-4-yl)-N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]oxolane-3-carboxamide (PubChem CID 129325519) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is (2S,3S)-2-(1-benzylpyrazol-4-yl)-N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-2-(1-benzylpyrazol-4-yl)-N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]oxolane-3-carboxamide
PubChem CID129325519
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name(2S,3S)-2-(1-benzylpyrazol-4-yl)-N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]oxolane-3-carboxamide
SMILESO=C(N[C@@H]1COc2ccccc21)[C@H]1CCO[C@@H]1c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C23H23N3O3/c27-23(25-20-15-29-21-9-5-4-8-18(20)21)19-10-11-28-22(19)17-12-24-26(14-17)13-16-6-2-1-3-7-16/h1-9,12,14,19-20,22H,10-11,13,15H2,(H,25,27)/t19-,20+,22+/m0/s1
InChIKeyZGFDMZDTWVRSGL-TUNNFDKTSA-N
XLogP3.26
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-benzylpyrazol-4-yl)oxolane-3-carboxylic acid
CID 122235493
(2R,3R)-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-2-(2-ethylpyrazol-3-yl)oxolane-3-carboxamide
CID 129342115
(2S,3S)-N-(2-anilino-2-oxoethyl)-2-(1-benzylpyrazol-4-yl)-N-methyloxolane-3-carboxamide
CID 128965826
(2S,3S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide
CID 129471937
N-[(1-benzylpyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide
CID 72872678
(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxylic acid
CID 124681119
3-(2,3-dihydro-1-benzofuran-3-yl)-1-methyl-1-[(1-phenylpyrazol-4-yl)methyl]urea
CID 71935397
6-(1-benzylpyrazol-4-yl)-5-methylmorpholin-3-one
CID 139343744
2,3-dihydro-1-benzofuran-3-ylurea
CID 62065035
(2S,3S)-2-(1-ethylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide
CID 129005643
1-benzyl-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)pyrazole-4-carboxamide
CID 138992571
(2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-methyl-N-(2-phenylethyl)oxolane-3-carboxamide
CID 128970695

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(1-benzylpyrazol-4-yl)-N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]oxolane-3-carboxamide?
The IUPAC name of (2S,3S)-2-(1-benzylpyrazol-4-yl)-N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]oxolane-3-carboxamide (CID 129325519) is (2S,3S)-2-(1-benzylpyrazol-4-yl)-N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]oxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-2-(1-benzylpyrazol-4-yl)-N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]oxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-2-(1-benzylpyrazol-4-yl)-N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]oxolane-3-carboxamide is O=C(N[C@@H]1COc2ccccc21)[C@H]1CCO[C@@H]1c1cnn(Cc2ccccc2)c1.
What is the InChIKey of (2S,3S)-2-(1-benzylpyrazol-4-yl)-N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]oxolane-3-carboxamide?
The InChIKey is ZGFDMZDTWVRSGL-TUNNFDKTSA-N. The full InChI is InChI=1S/C23H23N3O3/c27-23(25-20-15-29-21-9-5-4-8-18(20)21)19-10-11-28-22(19)17-12-24-26(14-17)13-16-6-2-1-3-7-16/h1-9,12,14,19-20,22H,10-11,13,15H2,(H,25,27)/t19-,20+,22+/m0/s1.
What are the key properties of (2S,3S)-2-(1-benzylpyrazol-4-yl)-N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]oxolane-3-carboxamide?
(2S,3S)-2-(1-benzylpyrazol-4-yl)-N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]oxolane-3-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(1-benzylpyrazol-4-yl)-N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]oxolane-3-carboxamide is sourced from PubChem (CID 129325519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).