N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide

C16H21N5O3 — CID 20959453

IUPACN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESCc1noc(C)c1CCNC(=O)c1cnc(N2CCOCC2)nc1
InChIInChI=1S/C16H21N5O3/c1-11-14(12(2)24-20-11)3-4-17-15(22)13-9-18-16(19-10-13)21-5-7-23-8-6-21/h9-10H,3-8H2,1-2H3,(H,17,22)
InChIKeyUCADFZYBYMWHER-UHFFFAOYSA-N
MW331.38 g/mol
LogP0.89
Rot. Bonds5

About N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide

N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide (PubChem CID 20959453) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
PubChem CID20959453
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC NameN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESCc1noc(C)c1CCNC(=O)c1cnc(N2CCOCC2)nc1
InChIInChI=1S/C16H21N5O3/c1-11-14(12(2)24-20-11)3-4-17-15(22)13-9-18-16(19-10-13)21-5-7-23-8-6-21/h9-10H,3-8H2,1-2H3,(H,17,22)
InChIKeyUCADFZYBYMWHER-UHFFFAOYSA-N
XLogP0.89
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-morpholin-4-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-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide (CID 20959453) is N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide is Cc1noc(C)c1CCNC(=O)c1cnc(N2CCOCC2)nc1.
What is the InChIKey of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
The InChIKey is UCADFZYBYMWHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-11-14(12(2)24-20-11)3-4-17-15(22)13-9-18-16(19-10-13)21-5-7-23-8-6-21/h9-10H,3-8H2,1-2H3,(H,17,22).
What are the key properties of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 20959453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).