(2S)-N-[(3R,5R)-5-(5-chloro-1H-indol-3-yl)oxan-3-yl]oxolane-2-carboxamide

C18H21ClN2O3 — CID 126522365

IUPAC(2S)-N-[(3R,5R)-5-(5-chloro-1H-indol-3-yl)oxan-3-yl]oxolane-2-carboxamide
SMILESO=C(N[C@H]1COC[C@@H](c2c[nH]c3ccc(Cl)cc23)C1)[C@@H]1CCCO1
InChIInChI=1S/C18H21ClN2O3/c19-12-3-4-16-14(7-12)15(8-20-16)11-6-13(10-23-9-11)21-18(22)17-2-1-5-24-17/h3-4,7-8,11,13,17,20H,1-2,5-6,9-10H2,(H,21,22)/t11-,13+,17-/m0/s1
InChIKeyMZOUWWMUWSEANN-PPHDSNJXSA-N
MW348.83 g/mol
LogP2.99
Rot. Bonds3

About (2S)-N-[(3R,5R)-5-(5-chloro-1H-indol-3-yl)oxan-3-yl]oxolane-2-carboxamide

(2S)-N-[(3R,5R)-5-(5-chloro-1H-indol-3-yl)oxan-3-yl]oxolane-2-carboxamide (PubChem CID 126522365) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is (2S)-N-[(3R,5R)-5-(5-chloro-1H-indol-3-yl)oxan-3-yl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(3R,5R)-5-(5-chloro-1H-indol-3-yl)oxan-3-yl]oxolane-2-carboxamide
PubChem CID126522365
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC Name(2S)-N-[(3R,5R)-5-(5-chloro-1H-indol-3-yl)oxan-3-yl]oxolane-2-carboxamide
SMILESO=C(N[C@H]1COC[C@@H](c2c[nH]c3ccc(Cl)cc23)C1)[C@@H]1CCCO1
InChIInChI=1S/C18H21ClN2O3/c19-12-3-4-16-14(7-12)15(8-20-16)11-6-13(10-23-9-11)21-18(22)17-2-1-5-24-17/h3-4,7-8,11,13,17,20H,1-2,5-6,9-10H2,(H,21,22)/t11-,13+,17-/m0/s1
InChIKeyMZOUWWMUWSEANN-PPHDSNJXSA-N
XLogP2.99
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3R,5R)-5-(5-chloro-1H-indol-3-yl)oxan-3-yl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[(3R,5R)-5-(5-chloro-1H-indol-3-yl)oxan-3-yl]oxolane-2-carboxamide (CID 126522365) is (2S)-N-[(3R,5R)-5-(5-chloro-1H-indol-3-yl)oxan-3-yl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[(3R,5R)-5-(5-chloro-1H-indol-3-yl)oxan-3-yl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[(3R,5R)-5-(5-chloro-1H-indol-3-yl)oxan-3-yl]oxolane-2-carboxamide is O=C(N[C@H]1COC[C@@H](c2c[nH]c3ccc(Cl)cc23)C1)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-[(3R,5R)-5-(5-chloro-1H-indol-3-yl)oxan-3-yl]oxolane-2-carboxamide?
The InChIKey is MZOUWWMUWSEANN-PPHDSNJXSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c19-12-3-4-16-14(7-12)15(8-20-16)11-6-13(10-23-9-11)21-18(22)17-2-1-5-24-17/h3-4,7-8,11,13,17,20H,1-2,5-6,9-10H2,(H,21,22)/t11-,13+,17-/m0/s1.
What are the key properties of (2S)-N-[(3R,5R)-5-(5-chloro-1H-indol-3-yl)oxan-3-yl]oxolane-2-carboxamide?
(2S)-N-[(3R,5R)-5-(5-chloro-1H-indol-3-yl)oxan-3-yl]oxolane-2-carboxamide has a molecular weight of 348.83 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3R,5R)-5-(5-chloro-1H-indol-3-yl)oxan-3-yl]oxolane-2-carboxamide is sourced from PubChem (CID 126522365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).