N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide

C19H25N5O4 — CID 110239241

IUPACN-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide
SMILESCOc1cc(CCC(=O)NC2CCCN(c3ncc4c(n3)CCOC4)C2)on1
InChIInChI=1S/C19H25N5O4/c1-26-18-9-15(28-23-18)4-5-17(25)21-14-3-2-7-24(11-14)19-20-10-13-12-27-8-6-16(13)22-19/h9-10,14H,2-8,11-12H2,1H3,(H,21,25)
InChIKeyMIEOEGHIQPPNHI-UHFFFAOYSA-N
MW387.44 g/mol
LogP1.26
Rot. Bonds6

About N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide

N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide (PubChem CID 110239241) has the molecular formula C19H25N5O4 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide
PubChem CID110239241
Molecular FormulaC19H25N5O4
Molecular Weight387.44 g/mol
Exact Mass387.19
IUPAC NameN-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide
SMILESCOc1cc(CCC(=O)NC2CCCN(c3ncc4c(n3)CCOC4)C2)on1
InChIInChI=1S/C19H25N5O4/c1-26-18-9-15(28-23-18)4-5-17(25)21-14-3-2-7-24(11-14)19-20-10-13-12-27-8-6-16(13)22-19/h9-10,14H,2-8,11-12H2,1H3,(H,21,25)
InChIKeyMIEOEGHIQPPNHI-UHFFFAOYSA-N
XLogP1.26
TPSA102.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide?
The IUPAC name of N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide (CID 110239241) is N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide.
What is the SMILES notation for N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide?
The canonical SMILES for N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide is COc1cc(CCC(=O)NC2CCCN(c3ncc4c(n3)CCOC4)C2)on1.
What is the InChIKey of N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide?
The InChIKey is MIEOEGHIQPPNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O4/c1-26-18-9-15(28-23-18)4-5-17(25)21-14-3-2-7-24(11-14)19-20-10-13-12-27-8-6-16(13)22-19/h9-10,14H,2-8,11-12H2,1H3,(H,21,25).
What are the key properties of N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide?
N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide has a molecular weight of 387.44 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide is sourced from PubChem (CID 110239241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).