N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

C18H21N5O4 — CID 91778333

About N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 91778333) has the molecular formula C18H21N5O4 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
• PubChem CID: 91778333
• Molecular Formula: C18H21N5O4
• Molecular Weight: 371.40 g/mol
• Exact Mass: 371.16
• IUPAC Name: N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
• SMILES: Cc1noc(C)c1CO[C@@H]1COCC[C@H]1NC(=O)c1cc2ncccn2n1
• InChI: InChI=1S/C18H21N5O4/c1-11-13(12(2)27-22-11)9-26-16-10-25-7-4-14(16)20-18(24)15-8-17-19-5-3-6-23(17)21-15/h3,5-6,8,14,16H,4,7,9-10H2,1-2H3,(H,20,24)/t14-,16-/m1/s1
• InChIKey: IURREYXNEHUQTG-GDBMZVCRSA-N
• XLogP: 1.44
• TPSA: 103.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.40
LogP ≤ 5	1.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The IUPAC name of N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 91778333) is N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

What is the SMILES notation for N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The canonical SMILES for N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1noc(C)c1CO[C@@H]1COCC[C@H]1NC(=O)c1cc2ncccn2n1.

What is the InChIKey of N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The InChIKey is IURREYXNEHUQTG-GDBMZVCRSA-N. The full InChI is InChI=1S/C18H21N5O4/c1-11-13(12(2)27-22-11)9-26-16-10-25-7-4-14(16)20-18(24)15-8-17-19-5-3-6-23(17)21-15/h3,5-6,8,14,16H,4,7,9-10H2,1-2H3,(H,20,24)/t14-,16-/m1/s1.

What are the key properties of N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?

N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 371.40 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 91778333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).