(3S)-N-[1-(2-fluoroethyl)spiro[2H-indole-3,4'-oxane]-5-yl]oxolane-3-carboxamide

C19H25FN2O3 — CID 97409703

IUPAC(3S)-N-[1-(2-fluoroethyl)spiro[2H-indole-3,4'-oxane]-5-yl]oxolane-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)C1(CCOCC1)CN2CCF)[C@H]1CCOC1
InChIInChI=1S/C19H25FN2O3/c20-6-7-22-13-19(4-9-24-10-5-19)16-11-15(1-2-17(16)22)21-18(23)14-3-8-25-12-14/h1-2,11,14H,3-10,12-13H2,(H,21,23)/t14-/m0/s1
InChIKeyVZHYFAZRAQBTAZ-AWEZNQCLSA-N
MW348.42 g/mol
LogP2.50
Rot. Bonds4

About (3S)-N-[1-(2-fluoroethyl)spiro[2H-indole-3,4'-oxane]-5-yl]oxolane-3-carboxamide

(3S)-N-[1-(2-fluoroethyl)spiro[2H-indole-3,4'-oxane]-5-yl]oxolane-3-carboxamide (PubChem CID 97409703) has the molecular formula C19H25FN2O3 and a molecular weight of 348.42 g/mol. Its IUPAC name is (3S)-N-[1-(2-fluoroethyl)spiro[2H-indole-3,4'-oxane]-5-yl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[1-(2-fluoroethyl)spiro[2H-indole-3,4'-oxane]-5-yl]oxolane-3-carboxamide
PubChem CID97409703
Molecular FormulaC19H25FN2O3
Molecular Weight348.42 g/mol
Exact Mass348.18
IUPAC Name(3S)-N-[1-(2-fluoroethyl)spiro[2H-indole-3,4'-oxane]-5-yl]oxolane-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)C1(CCOCC1)CN2CCF)[C@H]1CCOC1
InChIInChI=1S/C19H25FN2O3/c20-6-7-22-13-19(4-9-24-10-5-19)16-11-15(1-2-17(16)22)21-18(23)14-3-8-25-12-14/h1-2,11,14H,3-10,12-13H2,(H,21,23)/t14-/m0/s1
InChIKeyVZHYFAZRAQBTAZ-AWEZNQCLSA-N
XLogP2.50
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-fluoroethyl)spiro[2H-indole-3,4'-oxane]-5-yl]-2-methylpropanamide
CID 97401206
N-[1-(oxolan-2-ylmethyl)spiro[2H-indole-3,4'-oxane]-5-yl]acetamide
CID 134074323
N-[1-(cyclopropylmethyl)spiro[2H-indole-3,4'-oxane]-5-yl]-5-methylpyrazolidine-3-carboxamide
CID 134074322
N-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxolane-3-carboxamide
CID 78004870
N-(1-pyridin-3-ylspiro[2H-indole-3,4'-oxane]-5-yl)cyclopent-3-ene-1-carboxamide
CID 134079469
2-fluoro-5-(oxolane-3-carbonylamino)benzoic acid
CID 61270294
N-(1,3-benzodioxol-5-yl)oxolane-3-carboxamide
CID 110863146
N-(2-bromo-4-pyridinyl)oxolane-3-carboxamide
CID 130752406
N-(3,4-difluorophenyl)oxane-4-carboxamide
CID 31963323
N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide
CID 30179617
N-[1-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]oxolane-3-carboxamide
CID 71812005
N-(3-chlorophenyl)oxolane-3-carboxamide
CID 47443169

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[1-(2-fluoroethyl)spiro[2H-indole-3,4'-oxane]-5-yl]oxolane-3-carboxamide?
The IUPAC name of (3S)-N-[1-(2-fluoroethyl)spiro[2H-indole-3,4'-oxane]-5-yl]oxolane-3-carboxamide (CID 97409703) is (3S)-N-[1-(2-fluoroethyl)spiro[2H-indole-3,4'-oxane]-5-yl]oxolane-3-carboxamide.
What is the SMILES notation for (3S)-N-[1-(2-fluoroethyl)spiro[2H-indole-3,4'-oxane]-5-yl]oxolane-3-carboxamide?
The canonical SMILES for (3S)-N-[1-(2-fluoroethyl)spiro[2H-indole-3,4'-oxane]-5-yl]oxolane-3-carboxamide is O=C(Nc1ccc2c(c1)C1(CCOCC1)CN2CCF)[C@H]1CCOC1.
What is the InChIKey of (3S)-N-[1-(2-fluoroethyl)spiro[2H-indole-3,4'-oxane]-5-yl]oxolane-3-carboxamide?
The InChIKey is VZHYFAZRAQBTAZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H25FN2O3/c20-6-7-22-13-19(4-9-24-10-5-19)16-11-15(1-2-17(16)22)21-18(23)14-3-8-25-12-14/h1-2,11,14H,3-10,12-13H2,(H,21,23)/t14-/m0/s1.
What are the key properties of (3S)-N-[1-(2-fluoroethyl)spiro[2H-indole-3,4'-oxane]-5-yl]oxolane-3-carboxamide?
(3S)-N-[1-(2-fluoroethyl)spiro[2H-indole-3,4'-oxane]-5-yl]oxolane-3-carboxamide has a molecular weight of 348.42 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[1-(2-fluoroethyl)spiro[2H-indole-3,4'-oxane]-5-yl]oxolane-3-carboxamide is sourced from PubChem (CID 97409703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).