[(3S)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]morpholin-4-yl]-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)methanone

C18H18N2O5S — CID 99708101

IUPAC[(3S)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]morpholin-4-yl]-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)methanone
SMILESO=C(c1ccc2[nH]c(=S)oc2c1)N1CCOC[C@@H]1C[C@H](O)c1ccco1
InChIInChI=1S/C18H18N2O5S/c21-14(15-2-1-6-24-15)9-12-10-23-7-5-20(12)17(22)11-3-4-13-16(8-11)25-18(26)19-13/h1-4,6,8,12,14,21H,5,7,9-10H2,(H,19,26)/t12-,14-/m0/s1
InChIKeyBQPDQORTTGIUFX-JSGCOSHPSA-N
MW374.42 g/mol
LogP3.05
Rot. Bonds4

About [(3S)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]morpholin-4-yl]-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)methanone

[(3S)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]morpholin-4-yl]-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)methanone (PubChem CID 99708101) has the molecular formula C18H18N2O5S and a molecular weight of 374.42 g/mol. Its IUPAC name is [(3S)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]morpholin-4-yl]-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]morpholin-4-yl]-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)methanone
PubChem CID99708101
Molecular FormulaC18H18N2O5S
Molecular Weight374.42 g/mol
Exact Mass374.09
IUPAC Name[(3S)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]morpholin-4-yl]-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)methanone
SMILESO=C(c1ccc2[nH]c(=S)oc2c1)N1CCOC[C@@H]1C[C@H](O)c1ccco1
InChIInChI=1S/C18H18N2O5S/c21-14(15-2-1-6-24-15)9-12-10-23-7-5-20(12)17(22)11-3-4-13-16(8-11)25-18(26)19-13/h1-4,6,8,12,14,21H,5,7,9-10H2,(H,19,26)/t12-,14-/m0/s1
InChIKeyBQPDQORTTGIUFX-JSGCOSHPSA-N
XLogP3.05
TPSA91.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze [(3S)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]morpholin-4-yl]-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

furan-2-ylmethyl 4-[3-oxo-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylate
CID 68496659
2-(furan-2-ylmethyl)-4-[3-oxo-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylic acid
CID 89709640
6-[Hydroxy-(3-methylfuran-2-yl)methyl]-3-propyl-1,3-benzoxazol-2-one
CID 62300758
N-(3-hydroxy-3-phenylpropyl)-2-sulfanylidene-3H-1,3-benzoxazole-6-carboxamide
CID 71979824
N-[2-(furan-2-yl)-2-hydroxyethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 78868898
N-[2-(furan-2-yl)-2-hydroxyethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 78869179
[4-(2-methoxyethoxy)piperidin-1-yl]-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)methanone
CID 95930477
[(3S)-3-(5-ethylfuran-2-yl)morpholin-4-yl]-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)methanone
CID 95931876
[(3R)-3-(5-ethylfuran-2-yl)morpholin-4-yl]-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)methanone
CID 95931877
[(2S)-2-(methoxymethyl)morpholin-4-yl]-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)methanone
CID 95933177
[(2R)-2-(methoxymethyl)morpholin-4-yl]-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)methanone
CID 95933178
N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-2-sulfanylidene-3H-1,3-benzoxazole-6-carboxamide
CID 96570525

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]morpholin-4-yl]-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)methanone?
The IUPAC name of [(3S)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]morpholin-4-yl]-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)methanone (CID 99708101) is [(3S)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]morpholin-4-yl]-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)methanone.
What is the SMILES notation for [(3S)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]morpholin-4-yl]-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)methanone?
The canonical SMILES for [(3S)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]morpholin-4-yl]-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)methanone is O=C(c1ccc2[nH]c(=S)oc2c1)N1CCOC[C@@H]1C[C@H](O)c1ccco1.
What is the InChIKey of [(3S)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]morpholin-4-yl]-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)methanone?
The InChIKey is BQPDQORTTGIUFX-JSGCOSHPSA-N. The full InChI is InChI=1S/C18H18N2O5S/c21-14(15-2-1-6-24-15)9-12-10-23-7-5-20(12)17(22)11-3-4-13-16(8-11)25-18(26)19-13/h1-4,6,8,12,14,21H,5,7,9-10H2,(H,19,26)/t12-,14-/m0/s1.
What are the key properties of [(3S)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]morpholin-4-yl]-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)methanone?
[(3S)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]morpholin-4-yl]-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)methanone has a molecular weight of 374.42 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]morpholin-4-yl]-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)methanone is sourced from PubChem (CID 99708101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).