N-[(3R)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-ethyl-1,2-oxazole-5-carboxamide

C18H23N5O3 — CID 92589124

IUPACN-[(3R)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-ethyl-1,2-oxazole-5-carboxamide
SMILESCCc1cc(C(=O)N[C@@H]2CCCN(c3ncc4c(n3)CCOC4)C2)on1
InChIInChI=1S/C18H23N5O3/c1-2-13-8-16(26-22-13)17(24)20-14-4-3-6-23(10-14)18-19-9-12-11-25-7-5-15(12)21-18/h8-9,14H,2-7,10-11H2,1H3,(H,20,24)/t14-/m1/s1
InChIKeyNJIMZEHMRUBSDW-CQSZACIVSA-N
MW357.41 g/mol
LogP1.50
Rot. Bonds4

About N-[(3R)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-ethyl-1,2-oxazole-5-carboxamide

N-[(3R)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-ethyl-1,2-oxazole-5-carboxamide (PubChem CID 92589124) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[(3R)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-ethyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-ethyl-1,2-oxazole-5-carboxamide
PubChem CID92589124
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC NameN-[(3R)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-ethyl-1,2-oxazole-5-carboxamide
SMILESCCc1cc(C(=O)N[C@@H]2CCCN(c3ncc4c(n3)CCOC4)C2)on1
InChIInChI=1S/C18H23N5O3/c1-2-13-8-16(26-22-13)17(24)20-14-4-3-6-23(10-14)18-19-9-12-11-25-7-5-15(12)21-18/h8-9,14H,2-7,10-11H2,1H3,(H,20,24)/t14-/m1/s1
InChIKeyNJIMZEHMRUBSDW-CQSZACIVSA-N
XLogP1.50
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(3R)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-ethyl-1,2-oxazole-5-carboxamide 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-[(3R)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-ethyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(3R)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-ethyl-1,2-oxazole-5-carboxamide (CID 92589124) is N-[(3R)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-ethyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(3R)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-ethyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(3R)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-ethyl-1,2-oxazole-5-carboxamide is CCc1cc(C(=O)N[C@@H]2CCCN(c3ncc4c(n3)CCOC4)C2)on1.
What is the InChIKey of N-[(3R)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-ethyl-1,2-oxazole-5-carboxamide?
The InChIKey is NJIMZEHMRUBSDW-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-2-13-8-16(26-22-13)17(24)20-14-4-3-6-23(10-14)18-19-9-12-11-25-7-5-15(12)21-18/h8-9,14H,2-7,10-11H2,1H3,(H,20,24)/t14-/m1/s1.
What are the key properties of N-[(3R)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-ethyl-1,2-oxazole-5-carboxamide?
N-[(3R)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-ethyl-1,2-oxazole-5-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-ethyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 92589124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).