(4-methylpiperidin-1-yl)-(4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-3-yl)methanone

C16H21N5O2 — CID 20948801

IUPAC(4-methylpiperidin-1-yl)-(4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-3-yl)methanone
SMILESCC1CCN(C(=O)c2noc3ncnc(N4CCCC4)c23)CC1
InChIInChI=1S/C16H21N5O2/c1-11-4-8-21(9-5-11)16(22)13-12-14(20-6-2-3-7-20)17-10-18-15(12)23-19-13/h10-11H,2-9H2,1H3
InChIKeyZJXAEUZMDMEVOI-UHFFFAOYSA-N
MW315.38 g/mol
LogP2.09
Rot. Bonds2

About (4-methylpiperidin-1-yl)-(4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-3-yl)methanone

(4-methylpiperidin-1-yl)-(4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-3-yl)methanone (PubChem CID 20948801) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-(4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-3-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-(4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-3-yl)methanone
PubChem CID20948801
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name(4-methylpiperidin-1-yl)-(4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-3-yl)methanone
SMILESCC1CCN(C(=O)c2noc3ncnc(N4CCCC4)c23)CC1
InChIInChI=1S/C16H21N5O2/c1-11-4-8-21(9-5-11)16(22)13-12-14(20-6-2-3-7-20)17-10-18-15(12)23-19-13/h10-11H,2-9H2,1H3
InChIKeyZJXAEUZMDMEVOI-UHFFFAOYSA-N
XLogP2.09
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-methylpiperidin-1-yl)-(4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-3-yl)methanone with MolForge

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Related Compounds

4-(azepan-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylic acid
CID 53213452
[5-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone
CID 5236670
N-cycloheptyl-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide
CID 46341161
N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide
CID 46341168
azepan-1-yl-(6-methyl-4-piperidin-1-ylfuro[2,3-d]pyrimidin-5-yl)methanone
CID 20925129
N-(2-phenylethyl)-4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide
CID 20948825
[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109341009
4-methyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 114422255
(4-methylpiperidin-1-yl)-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)methanone
CID 109362694
[4-(azepan-1-yl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205143
(4-methylpiperidin-1-yl)-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone
CID 109342388
(4-methyl-1,2-oxazol-3-yl)-(4-methylpiperidin-1-yl)methanone
CID 110848992

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-(4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-3-yl)methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-(4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-3-yl)methanone (CID 20948801) is (4-methylpiperidin-1-yl)-(4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-3-yl)methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-(4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-3-yl)methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-(4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-3-yl)methanone is CC1CCN(C(=O)c2noc3ncnc(N4CCCC4)c23)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-(4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-3-yl)methanone?
The InChIKey is ZJXAEUZMDMEVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-11-4-8-21(9-5-11)16(22)13-12-14(20-6-2-3-7-20)17-10-18-15(12)23-19-13/h10-11H,2-9H2,1H3.
What are the key properties of (4-methylpiperidin-1-yl)-(4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-3-yl)methanone?
(4-methylpiperidin-1-yl)-(4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-3-yl)methanone has a molecular weight of 315.38 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-(4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-3-yl)methanone is sourced from PubChem (CID 20948801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).