N-[2-(methoxymethyl)pyrimidin-4-yl]-4-(1,2-oxazol-3-yl)piperidine-1-carboxamide

C15H19N5O3 — CID 136553465

IUPACN-[2-(methoxymethyl)pyrimidin-4-yl]-4-(1,2-oxazol-3-yl)piperidine-1-carboxamide
SMILESCOCc1nccc(NC(=O)N2CCC(c3ccon3)CC2)n1
InChIInChI=1S/C15H19N5O3/c1-22-10-14-16-6-2-13(17-14)18-15(21)20-7-3-11(4-8-20)12-5-9-23-19-12/h2,5-6,9,11H,3-4,7-8,10H2,1H3,(H,16,17,18,21)
InChIKeyGCOBILIDJDPCSK-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.02
Rot. Bonds4

About N-[2-(methoxymethyl)pyrimidin-4-yl]-4-(1,2-oxazol-3-yl)piperidine-1-carboxamide

N-[2-(methoxymethyl)pyrimidin-4-yl]-4-(1,2-oxazol-3-yl)piperidine-1-carboxamide (PubChem CID 136553465) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-[2-(methoxymethyl)pyrimidin-4-yl]-4-(1,2-oxazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(methoxymethyl)pyrimidin-4-yl]-4-(1,2-oxazol-3-yl)piperidine-1-carboxamide
PubChem CID136553465
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC NameN-[2-(methoxymethyl)pyrimidin-4-yl]-4-(1,2-oxazol-3-yl)piperidine-1-carboxamide
SMILESCOCc1nccc(NC(=O)N2CCC(c3ccon3)CC2)n1
InChIInChI=1S/C15H19N5O3/c1-22-10-14-16-6-2-13(17-14)18-15(21)20-7-3-11(4-8-20)12-5-9-23-19-12/h2,5-6,9,11H,3-4,7-8,10H2,1H3,(H,16,17,18,21)
InChIKeyGCOBILIDJDPCSK-UHFFFAOYSA-N
XLogP2.02
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(methoxymethyl)pyrimidin-4-yl]-4-(1,2-oxazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-[2-(methoxymethyl)pyrimidin-4-yl]-4-(1,2-oxazol-3-yl)piperidine-1-carboxamide (CID 136553465) is N-[2-(methoxymethyl)pyrimidin-4-yl]-4-(1,2-oxazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(methoxymethyl)pyrimidin-4-yl]-4-(1,2-oxazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[2-(methoxymethyl)pyrimidin-4-yl]-4-(1,2-oxazol-3-yl)piperidine-1-carboxamide is COCc1nccc(NC(=O)N2CCC(c3ccon3)CC2)n1.
What is the InChIKey of N-[2-(methoxymethyl)pyrimidin-4-yl]-4-(1,2-oxazol-3-yl)piperidine-1-carboxamide?
The InChIKey is GCOBILIDJDPCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-22-10-14-16-6-2-13(17-14)18-15(21)20-7-3-11(4-8-20)12-5-9-23-19-12/h2,5-6,9,11H,3-4,7-8,10H2,1H3,(H,16,17,18,21).
What are the key properties of N-[2-(methoxymethyl)pyrimidin-4-yl]-4-(1,2-oxazol-3-yl)piperidine-1-carboxamide?
N-[2-(methoxymethyl)pyrimidin-4-yl]-4-(1,2-oxazol-3-yl)piperidine-1-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methoxymethyl)pyrimidin-4-yl]-4-(1,2-oxazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 136553465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).