N,N-diethyl-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidine-1-carboxamide

C18H25N5O2 — CID 16669794

IUPACN,N-diethyl-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCCC(c2ncncc2-c2cc(C)no2)C1
InChIInChI=1S/C18H25N5O2/c1-4-22(5-2)18(24)23-8-6-7-14(11-23)17-15(10-19-12-20-17)16-9-13(3)21-25-16/h9-10,12,14H,4-8,11H2,1-3H3
InChIKeyJJXLNTRAWSFJPK-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.08
Rot. Bonds4

About N,N-diethyl-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidine-1-carboxamide

N,N-diethyl-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidine-1-carboxamide (PubChem CID 16669794) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N,N-diethyl-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidine-1-carboxamide
PubChem CID16669794
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN,N-diethyl-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCCC(c2ncncc2-c2cc(C)no2)C1
InChIInChI=1S/C18H25N5O2/c1-4-22(5-2)18(24)23-8-6-7-14(11-23)17-15(10-19-12-20-17)16-9-13(3)21-25-16/h9-10,12,14H,4-8,11H2,1-3H3
InChIKeyJJXLNTRAWSFJPK-UHFFFAOYSA-N
XLogP3.08
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidine-1-carboxamide?
The IUPAC name of N,N-diethyl-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidine-1-carboxamide (CID 16669794) is N,N-diethyl-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidine-1-carboxamide.
What is the SMILES notation for N,N-diethyl-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidine-1-carboxamide?
The canonical SMILES for N,N-diethyl-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidine-1-carboxamide is CCN(CC)C(=O)N1CCCC(c2ncncc2-c2cc(C)no2)C1.
What is the InChIKey of N,N-diethyl-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidine-1-carboxamide?
The InChIKey is JJXLNTRAWSFJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-4-22(5-2)18(24)23-8-6-7-14(11-23)17-15(10-19-12-20-17)16-9-13(3)21-25-16/h9-10,12,14H,4-8,11H2,1-3H3.
What are the key properties of N,N-diethyl-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidine-1-carboxamide?
N,N-diethyl-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidine-1-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidine-1-carboxamide is sourced from PubChem (CID 16669794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).