propan-2-yl 4-[[5-[2-[(3R)-3-aminopyrrolidin-1-yl]pyrimidin-5-yl]-1,2,4-oxadiazol-3-yl]methoxy]piperidine-1-carboxylate

C20H29N7O4 — CID 70852793

IUPACpropan-2-yl 4-[[5-[2-[(3R)-3-aminopyrrolidin-1-yl]pyrimidin-5-yl]-1,2,4-oxadiazol-3-yl]methoxy]piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(OCc2noc(-c3cnc(N4CC[C@@H](N)C4)nc3)n2)CC1
InChIInChI=1S/C20H29N7O4/c1-13(2)30-20(28)26-7-4-16(5-8-26)29-12-17-24-18(31-25-17)14-9-22-19(23-10-14)27-6-3-15(21)11-27/h9-10,13,15-16H,3-8,11-12,21H2,1-2H3/t15-/m1/s1
InChIKeyKXZQWLCBJRQCQB-OAHLLOKOSA-N
MW431.50 g/mol
LogP1.59
Rot. Bonds6

About propan-2-yl 4-[[5-[2-[(3R)-3-aminopyrrolidin-1-yl]pyrimidin-5-yl]-1,2,4-oxadiazol-3-yl]methoxy]piperidine-1-carboxylate

propan-2-yl 4-[[5-[2-[(3R)-3-aminopyrrolidin-1-yl]pyrimidin-5-yl]-1,2,4-oxadiazol-3-yl]methoxy]piperidine-1-carboxylate (PubChem CID 70852793) has the molecular formula C20H29N7O4 and a molecular weight of 431.50 g/mol. Its IUPAC name is propan-2-yl 4-[[5-[2-[(3R)-3-aminopyrrolidin-1-yl]pyrimidin-5-yl]-1,2,4-oxadiazol-3-yl]methoxy]piperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[[5-[2-[(3R)-3-aminopyrrolidin-1-yl]pyrimidin-5-yl]-1,2,4-oxadiazol-3-yl]methoxy]piperidine-1-carboxylate
PubChem CID70852793
Molecular FormulaC20H29N7O4
Molecular Weight431.50 g/mol
Exact Mass431.23
IUPAC Namepropan-2-yl 4-[[5-[2-[(3R)-3-aminopyrrolidin-1-yl]pyrimidin-5-yl]-1,2,4-oxadiazol-3-yl]methoxy]piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(OCc2noc(-c3cnc(N4CC[C@@H](N)C4)nc3)n2)CC1
InChIInChI=1S/C20H29N7O4/c1-13(2)30-20(28)26-7-4-16(5-8-26)29-12-17-24-18(31-25-17)14-9-22-19(23-10-14)27-6-3-15(21)11-27/h9-10,13,15-16H,3-8,11-12,21H2,1-2H3/t15-/m1/s1
InChIKeyKXZQWLCBJRQCQB-OAHLLOKOSA-N
XLogP1.59
TPSA132.73 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze propan-2-yl 4-[[5-[2-[(3R)-3-aminopyrrolidin-1-yl]pyrimidin-5-yl]-1,2,4-oxadiazol-3-yl]methoxy]piperidine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[[5-[2-[(3R)-3-aminopyrrolidin-1-yl]pyrimidin-5-yl]-1,2,4-oxadiazol-3-yl]methoxy]piperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[[5-[2-[(3R)-3-aminopyrrolidin-1-yl]pyrimidin-5-yl]-1,2,4-oxadiazol-3-yl]methoxy]piperidine-1-carboxylate (CID 70852793) is propan-2-yl 4-[[5-[2-[(3R)-3-aminopyrrolidin-1-yl]pyrimidin-5-yl]-1,2,4-oxadiazol-3-yl]methoxy]piperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[[5-[2-[(3R)-3-aminopyrrolidin-1-yl]pyrimidin-5-yl]-1,2,4-oxadiazol-3-yl]methoxy]piperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[[5-[2-[(3R)-3-aminopyrrolidin-1-yl]pyrimidin-5-yl]-1,2,4-oxadiazol-3-yl]methoxy]piperidine-1-carboxylate is CC(C)OC(=O)N1CCC(OCc2noc(-c3cnc(N4CC[C@@H](N)C4)nc3)n2)CC1.
What is the InChIKey of propan-2-yl 4-[[5-[2-[(3R)-3-aminopyrrolidin-1-yl]pyrimidin-5-yl]-1,2,4-oxadiazol-3-yl]methoxy]piperidine-1-carboxylate?
The InChIKey is KXZQWLCBJRQCQB-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H29N7O4/c1-13(2)30-20(28)26-7-4-16(5-8-26)29-12-17-24-18(31-25-17)14-9-22-19(23-10-14)27-6-3-15(21)11-27/h9-10,13,15-16H,3-8,11-12,21H2,1-2H3/t15-/m1/s1.
What are the key properties of propan-2-yl 4-[[5-[2-[(3R)-3-aminopyrrolidin-1-yl]pyrimidin-5-yl]-1,2,4-oxadiazol-3-yl]methoxy]piperidine-1-carboxylate?
propan-2-yl 4-[[5-[2-[(3R)-3-aminopyrrolidin-1-yl]pyrimidin-5-yl]-1,2,4-oxadiazol-3-yl]methoxy]piperidine-1-carboxylate has a molecular weight of 431.50 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[[5-[2-[(3R)-3-aminopyrrolidin-1-yl]pyrimidin-5-yl]-1,2,4-oxadiazol-3-yl]methoxy]piperidine-1-carboxylate is sourced from PubChem (CID 70852793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).