(2S,3S)-N'-[2-(1,2-benzoxazol-3-yl)acetyl]-2-phenyloxolane-3-carbohydrazide

C20H19N3O4 — CID 126805231

IUPAC(2S,3S)-N'-[2-(1,2-benzoxazol-3-yl)acetyl]-2-phenyloxolane-3-carbohydrazide
SMILESO=C(Cc1noc2ccccc12)NNC(=O)[C@H]1CCO[C@@H]1c1ccccc1
InChIInChI=1S/C20H19N3O4/c24-18(12-16-14-8-4-5-9-17(14)27-23-16)21-22-20(25)15-10-11-26-19(15)13-6-2-1-3-7-13/h1-9,15,19H,10-12H2,(H,21,24)(H,22,25)/t15-,19+/m0/s1
InChIKeyWCKJKDQVAPDZHS-HNAYVOBHSA-N
MW365.39 g/mol
LogP2.30
Rot. Bonds4

About (2S,3S)-N'-[2-(1,2-benzoxazol-3-yl)acetyl]-2-phenyloxolane-3-carbohydrazide

(2S,3S)-N'-[2-(1,2-benzoxazol-3-yl)acetyl]-2-phenyloxolane-3-carbohydrazide (PubChem CID 126805231) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is (2S,3S)-N'-[2-(1,2-benzoxazol-3-yl)acetyl]-2-phenyloxolane-3-carbohydrazide.

Molecular Properties

Compound Name(2S,3S)-N'-[2-(1,2-benzoxazol-3-yl)acetyl]-2-phenyloxolane-3-carbohydrazide
PubChem CID126805231
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name(2S,3S)-N'-[2-(1,2-benzoxazol-3-yl)acetyl]-2-phenyloxolane-3-carbohydrazide
SMILESO=C(Cc1noc2ccccc12)NNC(=O)[C@H]1CCO[C@@H]1c1ccccc1
InChIInChI=1S/C20H19N3O4/c24-18(12-16-14-8-4-5-9-17(14)27-23-16)21-22-20(25)15-10-11-26-19(15)13-6-2-1-3-7-13/h1-9,15,19H,10-12H2,(H,21,24)(H,22,25)/t15-,19+/m0/s1
InChIKeyWCKJKDQVAPDZHS-HNAYVOBHSA-N
XLogP2.30
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N-(2-phenylcyclopropyl)acetamide
CID 86843710
2-(1,2-benzoxazol-3-yl)-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]acetamide
CID 154569542
4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]oxolane-3-carboxylic acid
CID 66221426
2-phenyloxolane-3-carbohydrazide
CID 122235516
2-(1,2-benzoxazol-3-yl)-N',N'-diphenylacetohydrazide
CID 47009947
N'-[2-(1,2-benzoxazol-3-yl)acetyl]-4-ethylbenzohydrazide
CID 78816290
2-(1,2-benzoxazol-3-yl)-N'-[2-(2-methylphenoxy)acetyl]acetohydrazide
CID 9320938
N'-[2-(1,2-benzoxazol-3-yl)acetyl]quinoline-2-carbohydrazide
CID 35069552
(3R,4R)-1-[2-(1,2-benzoxazol-3-yl)acetyl]-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 120979692
2-(1,2-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 15167155
N-(benzenesulfonyl)-2-(1,2-benzoxazol-3-yl)acetamide
CID 25122234
2-(1,2-benzoxazol-3-yl)-N-(2-methylbutan-2-yl)acetamide
CID 46554827

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N'-[2-(1,2-benzoxazol-3-yl)acetyl]-2-phenyloxolane-3-carbohydrazide?
The IUPAC name of (2S,3S)-N'-[2-(1,2-benzoxazol-3-yl)acetyl]-2-phenyloxolane-3-carbohydrazide (CID 126805231) is (2S,3S)-N'-[2-(1,2-benzoxazol-3-yl)acetyl]-2-phenyloxolane-3-carbohydrazide.
What is the SMILES notation for (2S,3S)-N'-[2-(1,2-benzoxazol-3-yl)acetyl]-2-phenyloxolane-3-carbohydrazide?
The canonical SMILES for (2S,3S)-N'-[2-(1,2-benzoxazol-3-yl)acetyl]-2-phenyloxolane-3-carbohydrazide is O=C(Cc1noc2ccccc12)NNC(=O)[C@H]1CCO[C@@H]1c1ccccc1.
What is the InChIKey of (2S,3S)-N'-[2-(1,2-benzoxazol-3-yl)acetyl]-2-phenyloxolane-3-carbohydrazide?
The InChIKey is WCKJKDQVAPDZHS-HNAYVOBHSA-N. The full InChI is InChI=1S/C20H19N3O4/c24-18(12-16-14-8-4-5-9-17(14)27-23-16)21-22-20(25)15-10-11-26-19(15)13-6-2-1-3-7-13/h1-9,15,19H,10-12H2,(H,21,24)(H,22,25)/t15-,19+/m0/s1.
What are the key properties of (2S,3S)-N'-[2-(1,2-benzoxazol-3-yl)acetyl]-2-phenyloxolane-3-carbohydrazide?
(2S,3S)-N'-[2-(1,2-benzoxazol-3-yl)acetyl]-2-phenyloxolane-3-carbohydrazide has a molecular weight of 365.39 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N'-[2-(1,2-benzoxazol-3-yl)acetyl]-2-phenyloxolane-3-carbohydrazide is sourced from PubChem (CID 126805231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).