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

C17H26N4O3 — CID 154768379

IUPACN-[(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
SMILESCC(C)C1N(C)CC12C[C@@H](O)[C@H](NC(=O)c1cc3n(n1)CCO3)C2
InChIInChI=1S/C17H26N4O3/c1-10(2)15-17(9-20(15)3)7-12(13(22)8-17)18-16(23)11-6-14-21(19-11)4-5-24-14/h6,10,12-13,15,22H,4-5,7-9H2,1-3H3,(H,18,23)/t12-,13-,15?,17?/m1/s1
InChIKeyYQPDFDOSXRBDAK-MZPXATCKSA-N
MW334.42 g/mol
LogP0.49
Rot. Bonds3

About 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

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 (PubChem CID 154768379) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID154768379
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC NameN-[(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
SMILESCC(C)C1N(C)CC12C[C@@H](O)[C@H](NC(=O)c1cc3n(n1)CCO3)C2
InChIInChI=1S/C17H26N4O3/c1-10(2)15-17(9-20(15)3)7-12(13(22)8-17)18-16(23)11-6-14-21(19-11)4-5-24-14/h6,10,12-13,15,22H,4-5,7-9H2,1-3H3,(H,18,23)/t12-,13-,15?,17?/m1/s1
InChIKeyYQPDFDOSXRBDAK-MZPXATCKSA-N
XLogP0.49
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)C1N(C)CC12C[C@@H](O)[C@H](NC(=O)c1cc3n(n1)CCO3)C2.
What is the InChIKey of 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?
The InChIKey is YQPDFDOSXRBDAK-MZPXATCKSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-10(2)15-17(9-20(15)3)7-12(13(22)8-17)18-16(23)11-6-14-21(19-11)4-5-24-14/h6,10,12-13,15,22H,4-5,7-9H2,1-3H3,(H,18,23)/t12-,13-,15?,17?/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 334.42 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 154768379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).