3,5-dimethyl-N-[3-(2-methylpropyl)-4-oxoquinazolin-6-yl]-1,2-oxazole-4-carboxamide

C18H20N4O3 — CID 71708909

IUPAC3,5-dimethyl-N-[3-(2-methylpropyl)-4-oxoquinazolin-6-yl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1ccc2ncn(CC(C)C)c(=O)c2c1
InChIInChI=1S/C18H20N4O3/c1-10(2)8-22-9-19-15-6-5-13(7-14(15)18(22)24)20-17(23)16-11(3)21-25-12(16)4/h5-7,9-10H,8H2,1-4H3,(H,20,23)
InChIKeyRUOMSHQRLZELTL-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.91
Rot. Bonds4

About 3,5-dimethyl-N-[3-(2-methylpropyl)-4-oxoquinazolin-6-yl]-1,2-oxazole-4-carboxamide

3,5-dimethyl-N-[3-(2-methylpropyl)-4-oxoquinazolin-6-yl]-1,2-oxazole-4-carboxamide (PubChem CID 71708909) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3,5-dimethyl-N-[3-(2-methylpropyl)-4-oxoquinazolin-6-yl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[3-(2-methylpropyl)-4-oxoquinazolin-6-yl]-1,2-oxazole-4-carboxamide
PubChem CID71708909
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name3,5-dimethyl-N-[3-(2-methylpropyl)-4-oxoquinazolin-6-yl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1ccc2ncn(CC(C)C)c(=O)c2c1
InChIInChI=1S/C18H20N4O3/c1-10(2)8-22-9-19-15-6-5-13(7-14(15)18(22)24)20-17(23)16-11(3)21-25-12(16)4/h5-7,9-10H,8H2,1-4H3,(H,20,23)
InChIKeyRUOMSHQRLZELTL-UHFFFAOYSA-N
XLogP2.91
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[3-(2-methylpropyl)-4-oxoquinazolin-6-yl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[3-(2-methylpropyl)-4-oxoquinazolin-6-yl]-1,2-oxazole-4-carboxamide (CID 71708909) is 3,5-dimethyl-N-[3-(2-methylpropyl)-4-oxoquinazolin-6-yl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[3-(2-methylpropyl)-4-oxoquinazolin-6-yl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[3-(2-methylpropyl)-4-oxoquinazolin-6-yl]-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)Nc1ccc2ncn(CC(C)C)c(=O)c2c1.
What is the InChIKey of 3,5-dimethyl-N-[3-(2-methylpropyl)-4-oxoquinazolin-6-yl]-1,2-oxazole-4-carboxamide?
The InChIKey is RUOMSHQRLZELTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-10(2)8-22-9-19-15-6-5-13(7-14(15)18(22)24)20-17(23)16-11(3)21-25-12(16)4/h5-7,9-10H,8H2,1-4H3,(H,20,23).
What are the key properties of 3,5-dimethyl-N-[3-(2-methylpropyl)-4-oxoquinazolin-6-yl]-1,2-oxazole-4-carboxamide?
3,5-dimethyl-N-[3-(2-methylpropyl)-4-oxoquinazolin-6-yl]-1,2-oxazole-4-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[3-(2-methylpropyl)-4-oxoquinazolin-6-yl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 71708909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).