4-(2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide

C15H14N6O3S — CID 171477548

IUPAC4-(2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide
SMILESCOc1nnc(NC(=O)c2cnc(C)cc2-c2cnn3c2OCC3)s1
InChIInChI=1S/C15H14N6O3S/c1-8-5-9(11-7-17-21-3-4-24-13(11)21)10(6-16-8)12(22)18-14-19-20-15(23-2)25-14/h5-7H,3-4H2,1-2H3,(H,18,19,22)
InChIKeyABFJCBVJYZFDGR-UHFFFAOYSA-N
MW358.38 g/mol
LogP1.76
Rot. Bonds4

About 4-(2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide

4-(2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide (PubChem CID 171477548) has the molecular formula C15H14N6O3S and a molecular weight of 358.38 g/mol. Its IUPAC name is 4-(2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-(2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide
PubChem CID171477548
Molecular FormulaC15H14N6O3S
Molecular Weight358.38 g/mol
Exact Mass358.08
IUPAC Name4-(2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide
SMILESCOc1nnc(NC(=O)c2cnc(C)cc2-c2cnn3c2OCC3)s1
InChIInChI=1S/C15H14N6O3S/c1-8-5-9(11-7-17-21-3-4-24-13(11)21)10(6-16-8)12(22)18-14-19-20-15(23-2)25-14/h5-7H,3-4H2,1-2H3,(H,18,19,22)
InChIKeyABFJCBVJYZFDGR-UHFFFAOYSA-N
XLogP1.76
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

4-(3,5-dimethylphenyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide
CID 166162955
N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methyl-4-phenylpyridine-3-carboxamide
CID 166163327
4-(6-cyano-4-methyl-3-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide
CID 166163220
4-(2-amino-5-methoxy-4-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide
CID 166163152
N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methyl-4-(1-phenylpyrazol-4-yl)pyridine-3-carboxamide
CID 166163091
4-(2-fluoro-4-methoxyphenyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide
CID 166163398
4-(2-acetyl-5-methoxy-4-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide
CID 166163081
4-(2-cyclopropyl-5-methoxy-4-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide
CID 166163160
4-(2-chloro-5-ethyl-4-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide
CID 166162898
4-(3-fluoro-4-methoxyphenyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide
CID 166163397
4-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide
CID 166163114
N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methyl-4-quinolin-3-ylpyridine-3-carboxamide
CID 166163457

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide?
The IUPAC name of 4-(2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide (CID 171477548) is 4-(2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-(2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide?
The canonical SMILES for 4-(2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide is COc1nnc(NC(=O)c2cnc(C)cc2-c2cnn3c2OCC3)s1.
What is the InChIKey of 4-(2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide?
The InChIKey is ABFJCBVJYZFDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O3S/c1-8-5-9(11-7-17-21-3-4-24-13(11)21)10(6-16-8)12(22)18-14-19-20-15(23-2)25-14/h5-7H,3-4H2,1-2H3,(H,18,19,22).
What are the key properties of 4-(2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide?
4-(2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide has a molecular weight of 358.38 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 171477548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).