(2S)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2-phenylspiro[2.4]heptane-2-carboxamide

C19H23N3O3 — CID 126423833

IUPAC(2S)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2-phenylspiro[2.4]heptane-2-carboxamide
SMILESCc1nonc1OCCNC(=O)[C@@]1(c2ccccc2)CC12CCCC2
InChIInChI=1S/C19H23N3O3/c1-14-16(22-25-21-14)24-12-11-20-17(23)19(15-7-3-2-4-8-15)13-18(19)9-5-6-10-18/h2-4,7-8H,5-6,9-13H2,1H3,(H,20,23)/t19-/m0/s1
InChIKeyNDRCBLPPXCLELG-IBGZPJMESA-N
MW341.41 g/mol
LogP2.78
Rot. Bonds6

About (2S)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2-phenylspiro[2.4]heptane-2-carboxamide

(2S)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2-phenylspiro[2.4]heptane-2-carboxamide (PubChem CID 126423833) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is (2S)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2-phenylspiro[2.4]heptane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2-phenylspiro[2.4]heptane-2-carboxamide
PubChem CID126423833
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name(2S)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2-phenylspiro[2.4]heptane-2-carboxamide
SMILESCc1nonc1OCCNC(=O)[C@@]1(c2ccccc2)CC12CCCC2
InChIInChI=1S/C19H23N3O3/c1-14-16(22-25-21-14)24-12-11-20-17(23)19(15-7-3-2-4-8-15)13-18(19)9-5-6-10-18/h2-4,7-8H,5-6,9-13H2,1H3,(H,20,23)/t19-/m0/s1
InChIKeyNDRCBLPPXCLELG-IBGZPJMESA-N
XLogP2.78
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-phenylspiro[2.4]heptane-2-carboxamide
CID 86286558
(2R)-2-phenyl-N-(2-pyridin-4-ylethyl)spiro[2.4]heptane-2-carboxamide
CID 99970498
(3R)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-3-(2-methylphenyl)-3-phenylpropanamide
CID 97273006
(2R)-2-phenyl-N-[2-(1H-pyrazol-5-yl)ethyl]spiro[2.4]heptane-2-carboxamide
CID 126443610
N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]isoquinoline-1-carboxamide
CID 119069013
2-phenyl-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]spiro[2.4]heptane-2-carboxamide
CID 119066000
(2R)-N-[3-(2-ethylimidazol-1-yl)propyl]-2-phenylspiro[2.4]heptane-2-carboxamide
CID 126431492
(2S)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-phenylspiro[2.4]heptane-2-carboxamide
CID 126439982
(2R)-N-[1-(hydroxymethyl)cyclopentyl]-2-phenylspiro[2.4]heptane-2-carboxamide
CID 126423700
N-[2-(2-methylphenoxy)ethyl]-1-phenylcyclopentane-1-carboxamide
CID 99848155
N-(2-phenoxyethyl)-1-phenylcyclopentane-1-carboxamide
CID 100543641
methyl 2-phenylspiro[2.3]hexane-2-carboxylate
CID 134589125

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2-phenylspiro[2.4]heptane-2-carboxamide?
The IUPAC name of (2S)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2-phenylspiro[2.4]heptane-2-carboxamide (CID 126423833) is (2S)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2-phenylspiro[2.4]heptane-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2-phenylspiro[2.4]heptane-2-carboxamide?
The canonical SMILES for (2S)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2-phenylspiro[2.4]heptane-2-carboxamide is Cc1nonc1OCCNC(=O)[C@@]1(c2ccccc2)CC12CCCC2.
What is the InChIKey of (2S)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2-phenylspiro[2.4]heptane-2-carboxamide?
The InChIKey is NDRCBLPPXCLELG-IBGZPJMESA-N. The full InChI is InChI=1S/C19H23N3O3/c1-14-16(22-25-21-14)24-12-11-20-17(23)19(15-7-3-2-4-8-15)13-18(19)9-5-6-10-18/h2-4,7-8H,5-6,9-13H2,1H3,(H,20,23)/t19-/m0/s1.
What are the key properties of (2S)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2-phenylspiro[2.4]heptane-2-carboxamide?
(2S)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2-phenylspiro[2.4]heptane-2-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2-phenylspiro[2.4]heptane-2-carboxamide is sourced from PubChem (CID 126423833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).