(3S)-N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]oxolane-3-carboxamide

C15H18N4O4 — CID 100758962

IUPAC(3S)-N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]oxolane-3-carboxamide
SMILESCCOc1ccc(-c2noc(CNC(=O)[C@H]3CCOC3)n2)cn1
InChIInChI=1S/C15H18N4O4/c1-2-22-12-4-3-10(7-16-12)14-18-13(23-19-14)8-17-15(20)11-5-6-21-9-11/h3-4,7,11H,2,5-6,8-9H2,1H3,(H,17,20)/t11-/m0/s1
InChIKeyJYZLVLLIZHRRJF-NSHDSACASA-N
MW318.33 g/mol
LogP1.18
Rot. Bonds6

About (3S)-N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]oxolane-3-carboxamide

(3S)-N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]oxolane-3-carboxamide (PubChem CID 100758962) has the molecular formula C15H18N4O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is (3S)-N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]oxolane-3-carboxamide
PubChem CID100758962
Molecular FormulaC15H18N4O4
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC Name(3S)-N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]oxolane-3-carboxamide
SMILESCCOc1ccc(-c2noc(CNC(=O)[C@H]3CCOC3)n2)cn1
InChIInChI=1S/C15H18N4O4/c1-2-22-12-4-3-10(7-16-12)14-18-13(23-19-14)8-17-15(20)11-5-6-21-9-11/h3-4,7,11H,2,5-6,8-9H2,1H3,(H,17,20)/t11-/m0/s1
InChIKeyJYZLVLLIZHRRJF-NSHDSACASA-N
XLogP1.18
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3S)-N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]oxolane-3-carboxamide with MolForge

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Related Compounds

N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 91819320
(2S)-N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-pyrazol-1-ylpropanamide
CID 100759002
N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrol-1-ylbenzamide
CID 91819291
N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 91819293
N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 91819345
N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(tetrazol-1-yl)benzamide
CID 91819290
N-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]oxolane-3-carboxamide
CID 167852428
N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropanamide
CID 56923225
(3S)-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]oxolane-3-carboxamide
CID 95062342
N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]oxolane-3-carboxamide
CID 53049086
N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 100650655
1-[(4-methylphenyl)methyl]-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 53278515

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]oxolane-3-carboxamide?
The IUPAC name of (3S)-N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]oxolane-3-carboxamide (CID 100758962) is (3S)-N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]oxolane-3-carboxamide.
What is the SMILES notation for (3S)-N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]oxolane-3-carboxamide?
The canonical SMILES for (3S)-N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]oxolane-3-carboxamide is CCOc1ccc(-c2noc(CNC(=O)[C@H]3CCOC3)n2)cn1.
What is the InChIKey of (3S)-N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]oxolane-3-carboxamide?
The InChIKey is JYZLVLLIZHRRJF-NSHDSACASA-N. The full InChI is InChI=1S/C15H18N4O4/c1-2-22-12-4-3-10(7-16-12)14-18-13(23-19-14)8-17-15(20)11-5-6-21-9-11/h3-4,7,11H,2,5-6,8-9H2,1H3,(H,17,20)/t11-/m0/s1.
What are the key properties of (3S)-N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]oxolane-3-carboxamide?
(3S)-N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]oxolane-3-carboxamide has a molecular weight of 318.33 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]oxolane-3-carboxamide is sourced from PubChem (CID 100758962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).