N-[(3R,4R)-4-methoxyoxan-3-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide

C12H17N3O4 — CID 136587602

IUPACN-[(3R,4R)-4-methoxyoxan-3-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESCO[C@@H]1CCOC[C@H]1NC(=O)c1cc2n(n1)CCO2
InChIInChI=1S/C12H17N3O4/c1-17-10-2-4-18-7-9(10)13-12(16)8-6-11-15(14-8)3-5-19-11/h6,9-10H,2-5,7H2,1H3,(H,13,16)/t9-,10-/m1/s1
InChIKeyCQQGKOAGTOMXON-NXEZZACHSA-N
MW267.28 g/mol
LogP-0.19
Rot. Bonds3

About N-[(3R,4R)-4-methoxyoxan-3-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide

N-[(3R,4R)-4-methoxyoxan-3-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (PubChem CID 136587602) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is N-[(3R,4R)-4-methoxyoxan-3-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-methoxyoxan-3-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
PubChem CID136587602
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC NameN-[(3R,4R)-4-methoxyoxan-3-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESCO[C@@H]1CCOC[C@H]1NC(=O)c1cc2n(n1)CCO2
InChIInChI=1S/C12H17N3O4/c1-17-10-2-4-18-7-9(10)13-12(16)8-6-11-15(14-8)3-5-19-11/h6,9-10H,2-5,7H2,1H3,(H,13,16)/t9-,10-/m1/s1
InChIKeyCQQGKOAGTOMXON-NXEZZACHSA-N
XLogP-0.19
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3R,4R)-4-methoxyoxan-3-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide with MolForge

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Related Compounds

1-cyclopropyl-N-[(3R,4R)-4-methoxyoxan-3-yl]pyrrole-2-carboxamide
CID 91774545
N-[(6R,7R)-6-hydroxy-2-methyl-3-propan-2-yl-2-azaspiro[3.4]octan-7-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 154768379
N-[(3R,4R)-4-methoxyoxan-3-yl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 136587643
N-(4-methoxyoxan-3-yl)acetamide
CID 157037977
1-(difluoromethyl)-N-(4-methoxyoxan-3-yl)-5-methylpyrrole-2-carboxamide
CID 156609459
2-(2-chlorophenyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]-1,3-oxazole-4-carboxamide
CID 136587610
N-[(3R,4R)-4-methoxyoxan-3-yl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 136587620
N-[(3R,4R)-4-methoxyoxan-3-yl]thieno[2,3-c]pyridine-2-carboxamide
CID 136587597
6-cyano-N-[(3R,4R)-4-methoxyoxan-3-yl]pyridine-3-carboxamide
CID 91831669
N-[(3R,4R)-4-methoxyoxan-3-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 136587613
2-(3-fluorophenyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]acetamide
CID 91787465
N-[(3R,4R)-4-methoxyoxan-3-yl]-2-oxo-3-propan-2-yl-1H-benzimidazole-5-carboxamide
CID 136587593

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-methoxyoxan-3-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The IUPAC name of N-[(3R,4R)-4-methoxyoxan-3-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (CID 136587602) is N-[(3R,4R)-4-methoxyoxan-3-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.
What is the SMILES notation for N-[(3R,4R)-4-methoxyoxan-3-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The canonical SMILES for N-[(3R,4R)-4-methoxyoxan-3-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is CO[C@@H]1CCOC[C@H]1NC(=O)c1cc2n(n1)CCO2.
What is the InChIKey of N-[(3R,4R)-4-methoxyoxan-3-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The InChIKey is CQQGKOAGTOMXON-NXEZZACHSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-17-10-2-4-18-7-9(10)13-12(16)8-6-11-15(14-8)3-5-19-11/h6,9-10H,2-5,7H2,1H3,(H,13,16)/t9-,10-/m1/s1.
What are the key properties of N-[(3R,4R)-4-methoxyoxan-3-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
N-[(3R,4R)-4-methoxyoxan-3-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide has a molecular weight of 267.28 g/mol, XLogP of -0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-methoxyoxan-3-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is sourced from PubChem (CID 136587602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).