N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide

C18H19N5O3 — CID 70745592

IUPACN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCc1nc(CN(C)C(=O)c2cnc(-c3ccc(C)cc3)[nH]c2=O)no1
InChIInChI=1S/C18H19N5O3/c1-4-15-20-14(22-26-15)10-23(3)18(25)13-9-19-16(21-17(13)24)12-7-5-11(2)6-8-12/h5-9H,4,10H2,1-3H3,(H,19,21,24)
InChIKeyJXOSOARJTNPNQA-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.96
Rot. Bonds5

About N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide

N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 70745592) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID70745592
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC NameN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCc1nc(CN(C)C(=O)c2cnc(-c3ccc(C)cc3)[nH]c2=O)no1
InChIInChI=1S/C18H19N5O3/c1-4-15-20-14(22-26-15)10-23(3)18(25)13-9-19-16(21-17(13)24)12-7-5-11(2)6-8-12/h5-9H,4,10H2,1-3H3,(H,19,21,24)
InChIKeyJXOSOARJTNPNQA-UHFFFAOYSA-N
XLogP1.96
TPSA104.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide (CID 70745592) is N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide is CCc1nc(CN(C)C(=O)c2cnc(-c3ccc(C)cc3)[nH]c2=O)no1.
What is the InChIKey of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is JXOSOARJTNPNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-4-15-20-14(22-26-15)10-23(3)18(25)13-9-19-16(21-17(13)24)12-7-5-11(2)6-8-12/h5-9H,4,10H2,1-3H3,(H,19,21,24).
What are the key properties of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide?
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 70745592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).