N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-5-methyl-1,3-oxazole-4-carboxamide

C14H16N4O2 — CID 75437077

IUPACN-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1ccnc(C(NC(=O)c2ncoc2C)C2CC2)n1
InChIInChI=1S/C14H16N4O2/c1-8-5-6-15-13(17-8)12(10-3-4-10)18-14(19)11-9(2)20-7-16-11/h5-7,10,12H,3-4H2,1-2H3,(H,18,19)
InChIKeyZQAWEPBOEBUVMV-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.96
Rot. Bonds4

About N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-5-methyl-1,3-oxazole-4-carboxamide

N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-5-methyl-1,3-oxazole-4-carboxamide (PubChem CID 75437077) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-5-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-5-methyl-1,3-oxazole-4-carboxamide
PubChem CID75437077
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1ccnc(C(NC(=O)c2ncoc2C)C2CC2)n1
InChIInChI=1S/C14H16N4O2/c1-8-5-6-15-13(17-8)12(10-3-4-10)18-14(19)11-9(2)20-7-16-11/h5-7,10,12H,3-4H2,1-2H3,(H,18,19)
InChIKeyZQAWEPBOEBUVMV-UHFFFAOYSA-N
XLogP1.96
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-5-methyl-1,3-oxazole-4-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-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-5-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-5-methyl-1,3-oxazole-4-carboxamide (CID 75437077) is N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-5-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-5-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-5-methyl-1,3-oxazole-4-carboxamide is Cc1ccnc(C(NC(=O)c2ncoc2C)C2CC2)n1.
What is the InChIKey of N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-5-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is ZQAWEPBOEBUVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-8-5-6-15-13(17-8)12(10-3-4-10)18-14(19)11-9(2)20-7-16-11/h5-7,10,12H,3-4H2,1-2H3,(H,18,19).
What are the key properties of N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-5-methyl-1,3-oxazole-4-carboxamide?
N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-5-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-5-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 75437077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).