N,4,6-trimethyl-2-oxo-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide

C16H22N4O3 — CID 56704286

IUPACN,4,6-trimethyl-2-oxo-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)N(C)Cc2noc3c2CCCC3)C(C)NC(=O)N1
InChIInChI=1S/C16H22N4O3/c1-9-14(10(2)18-16(22)17-9)15(21)20(3)8-12-11-6-4-5-7-13(11)23-19-12/h9H,4-8H2,1-3H3,(H2,17,18,22)
InChIKeyJXORCUNJLBFVJH-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.49
Rot. Bonds3

About N,4,6-trimethyl-2-oxo-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide

N,4,6-trimethyl-2-oxo-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 56704286) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is N,4,6-trimethyl-2-oxo-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN,4,6-trimethyl-2-oxo-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID56704286
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC NameN,4,6-trimethyl-2-oxo-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)N(C)Cc2noc3c2CCCC3)C(C)NC(=O)N1
InChIInChI=1S/C16H22N4O3/c1-9-14(10(2)18-16(22)17-9)15(21)20(3)8-12-11-6-4-5-7-13(11)23-19-12/h9H,4-8H2,1-3H3,(H2,17,18,22)
InChIKeyJXORCUNJLBFVJH-UHFFFAOYSA-N
XLogP1.49
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N,4,6-trimethyl-2-oxo-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-3,4-dihydro-1H-pyrimidine-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,4,6-trimethyl-2-oxo-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of N,4,6-trimethyl-2-oxo-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 56704286) is N,4,6-trimethyl-2-oxo-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N,4,6-trimethyl-2-oxo-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N,4,6-trimethyl-2-oxo-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide is CC1=C(C(=O)N(C)Cc2noc3c2CCCC3)C(C)NC(=O)N1.
What is the InChIKey of N,4,6-trimethyl-2-oxo-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is JXORCUNJLBFVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-9-14(10(2)18-16(22)17-9)15(21)20(3)8-12-11-6-4-5-7-13(11)23-19-12/h9H,4-8H2,1-3H3,(H2,17,18,22).
What are the key properties of N,4,6-trimethyl-2-oxo-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide?
N,4,6-trimethyl-2-oxo-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,6-trimethyl-2-oxo-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 56704286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).