N-methyl-N-[[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]oxolane-3-carboxamide

C18H24N4O3 — CID 110245531

IUPACN-methyl-N-[[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]oxolane-3-carboxamide
SMILESCc1cc(-c2cnc(C(C)C)nc2CN(C)C(=O)C2CCOC2)on1
InChIInChI=1S/C18H24N4O3/c1-11(2)17-19-8-14(16-7-12(3)21-25-16)15(20-17)9-22(4)18(23)13-5-6-24-10-13/h7-8,11,13H,5-6,9-10H2,1-4H3
InChIKeyGEZMMAQANILWPI-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.56
Rot. Bonds5

About N-methyl-N-[[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]oxolane-3-carboxamide

N-methyl-N-[[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]oxolane-3-carboxamide (PubChem CID 110245531) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-methyl-N-[[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]oxolane-3-carboxamide
PubChem CID110245531
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC NameN-methyl-N-[[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]oxolane-3-carboxamide
SMILESCc1cc(-c2cnc(C(C)C)nc2CN(C)C(=O)C2CCOC2)on1
InChIInChI=1S/C18H24N4O3/c1-11(2)17-19-8-14(16-7-12(3)21-25-16)15(20-17)9-22(4)18(23)13-5-6-24-10-13/h7-8,11,13H,5-6,9-10H2,1-4H3
InChIKeyGEZMMAQANILWPI-UHFFFAOYSA-N
XLogP2.56
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]oxolane-3-carboxamide?
The IUPAC name of N-methyl-N-[[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]oxolane-3-carboxamide (CID 110245531) is N-methyl-N-[[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]oxolane-3-carboxamide.
What is the SMILES notation for N-methyl-N-[[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]oxolane-3-carboxamide?
The canonical SMILES for N-methyl-N-[[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]oxolane-3-carboxamide is Cc1cc(-c2cnc(C(C)C)nc2CN(C)C(=O)C2CCOC2)on1.
What is the InChIKey of N-methyl-N-[[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]oxolane-3-carboxamide?
The InChIKey is GEZMMAQANILWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-11(2)17-19-8-14(16-7-12(3)21-25-16)15(20-17)9-22(4)18(23)13-5-6-24-10-13/h7-8,11,13H,5-6,9-10H2,1-4H3.
What are the key properties of N-methyl-N-[[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]oxolane-3-carboxamide?
N-methyl-N-[[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]oxolane-3-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]oxolane-3-carboxamide is sourced from PubChem (CID 110245531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).