N,4-dimethyl-N-(1,2-oxazol-3-ylmethyl)-2-piperidin-1-ylpyrimidine-5-carboxamide

C16H21N5O2 — CID 118773636

IUPACN,4-dimethyl-N-(1,2-oxazol-3-ylmethyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
SMILESCc1nc(N2CCCCC2)ncc1C(=O)N(C)Cc1ccon1
InChIInChI=1S/C16H21N5O2/c1-12-14(15(22)20(2)11-13-6-9-23-19-13)10-17-16(18-12)21-7-4-3-5-8-21/h6,9-10H,3-5,7-8,11H2,1-2H3
InChIKeyCNIKDNQEJGMHIA-UHFFFAOYSA-N
MW315.38 g/mol
LogP2.04
Rot. Bonds4

About N,4-dimethyl-N-(1,2-oxazol-3-ylmethyl)-2-piperidin-1-ylpyrimidine-5-carboxamide

N,4-dimethyl-N-(1,2-oxazol-3-ylmethyl)-2-piperidin-1-ylpyrimidine-5-carboxamide (PubChem CID 118773636) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is N,4-dimethyl-N-(1,2-oxazol-3-ylmethyl)-2-piperidin-1-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-N-(1,2-oxazol-3-ylmethyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
PubChem CID118773636
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC NameN,4-dimethyl-N-(1,2-oxazol-3-ylmethyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
SMILESCc1nc(N2CCCCC2)ncc1C(=O)N(C)Cc1ccon1
InChIInChI=1S/C16H21N5O2/c1-12-14(15(22)20(2)11-13-6-9-23-19-13)10-17-16(18-12)21-7-4-3-5-8-21/h6,9-10H,3-5,7-8,11H2,1-2H3
InChIKeyCNIKDNQEJGMHIA-UHFFFAOYSA-N
XLogP2.04
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,4-dimethyl-N-(1,2-oxazol-3-ylmethyl)-2-piperidin-1-ylpyrimidine-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,4-dimethyl-N-(1,2-oxazol-3-ylmethyl)-2-piperidin-1-ylpyrimidine-5-carboxamide?
The IUPAC name of N,4-dimethyl-N-(1,2-oxazol-3-ylmethyl)-2-piperidin-1-ylpyrimidine-5-carboxamide (CID 118773636) is N,4-dimethyl-N-(1,2-oxazol-3-ylmethyl)-2-piperidin-1-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N,4-dimethyl-N-(1,2-oxazol-3-ylmethyl)-2-piperidin-1-ylpyrimidine-5-carboxamide?
The canonical SMILES for N,4-dimethyl-N-(1,2-oxazol-3-ylmethyl)-2-piperidin-1-ylpyrimidine-5-carboxamide is Cc1nc(N2CCCCC2)ncc1C(=O)N(C)Cc1ccon1.
What is the InChIKey of N,4-dimethyl-N-(1,2-oxazol-3-ylmethyl)-2-piperidin-1-ylpyrimidine-5-carboxamide?
The InChIKey is CNIKDNQEJGMHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-12-14(15(22)20(2)11-13-6-9-23-19-13)10-17-16(18-12)21-7-4-3-5-8-21/h6,9-10H,3-5,7-8,11H2,1-2H3.
What are the key properties of N,4-dimethyl-N-(1,2-oxazol-3-ylmethyl)-2-piperidin-1-ylpyrimidine-5-carboxamide?
N,4-dimethyl-N-(1,2-oxazol-3-ylmethyl)-2-piperidin-1-ylpyrimidine-5-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-(1,2-oxazol-3-ylmethyl)-2-piperidin-1-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 118773636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).