4-methyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]-1,2,5-oxadiazole-3-carboxamide

C15H18N4O4 — CID 91763372

IUPAC4-methyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)N[C@@H]1COCC[C@H]1OCc1ccccn1
InChIInChI=1S/C15H18N4O4/c1-10-14(19-23-18-10)15(20)17-12-9-21-7-5-13(12)22-8-11-4-2-3-6-16-11/h2-4,6,12-13H,5,7-9H2,1H3,(H,17,20)/t12-,13-/m1/s1
InChIKeyDBMSHHYWXFOBNK-CHWSQXEVSA-N
MW318.33 g/mol
LogP0.88
Rot. Bonds5

About 4-methyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]-1,2,5-oxadiazole-3-carboxamide

4-methyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 91763372) has the molecular formula C15H18N4O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is 4-methyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]-1,2,5-oxadiazole-3-carboxamide
PubChem CID91763372
Molecular FormulaC15H18N4O4
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC Name4-methyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)N[C@@H]1COCC[C@H]1OCc1ccccn1
InChIInChI=1S/C15H18N4O4/c1-10-14(19-23-18-10)15(20)17-12-9-21-7-5-13(12)22-8-11-4-2-3-6-16-11/h2-4,6,12-13H,5,7-9H2,1H3,(H,17,20)/t12-,13-/m1/s1
InChIKeyDBMSHHYWXFOBNK-CHWSQXEVSA-N
XLogP0.88
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-methyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]-1,2,5-oxadiazole-3-carboxamide with MolForge

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Related Compounds

2-methyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]furan-3-carboxamide
CID 91771001
5-cyclopropyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]-1,3-oxazole-4-carboxamide
CID 91784370
3-hydroxy-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]pyridine-4-carboxamide
CID 91767843
3-pyridin-2-yl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]propanamide
CID 91783906
5-(methoxymethyl)-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]thiophene-2-carboxamide
CID 91767547
1-[(4-methylphenyl)methyl]-3-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]urea
CID 91786692
2,5-difluoro-N-[(3R,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]benzamide
CID 91771107
2-(4-methoxyphenyl)-N-[(3S,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]acetamide
CID 164634817
1-phenyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]cyclopropane-1-carboxamide
CID 91768818
N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-3-pyridin-2-ylpropanamide
CID 91762820
N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]tetrazolo[1,5-a]pyridine-6-carboxamide
CID 91783413
2-(4-chlorophenoxy)-N-[(3R,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]acetamide
CID 91784974

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-methyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]-1,2,5-oxadiazole-3-carboxamide (CID 91763372) is 4-methyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-methyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-methyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]-1,2,5-oxadiazole-3-carboxamide is Cc1nonc1C(=O)N[C@@H]1COCC[C@H]1OCc1ccccn1.
What is the InChIKey of 4-methyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is DBMSHHYWXFOBNK-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H18N4O4/c1-10-14(19-23-18-10)15(20)17-12-9-21-7-5-13(12)22-8-11-4-2-3-6-16-11/h2-4,6,12-13H,5,7-9H2,1H3,(H,17,20)/t12-,13-/m1/s1.
What are the key properties of 4-methyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]-1,2,5-oxadiazole-3-carboxamide?
4-methyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 318.33 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 91763372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).