N-methyl-2-(3-methyl-2-oxo-4H-quinazolin-1-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide

C18H23N5O3 — CID 70750692

IUPACN-methyl-2-(3-methyl-2-oxo-4H-quinazolin-1-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide
SMILESCC(C)c1nc(CN(C)C(=O)CN2C(=O)N(C)Cc3ccccc32)no1
InChIInChI=1S/C18H23N5O3/c1-12(2)17-19-15(20-26-17)10-21(3)16(24)11-23-14-8-6-5-7-13(14)9-22(4)18(23)25/h5-8,12H,9-11H2,1-4H3
InChIKeyUHLXHKWLYHMAHJ-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.22
Rot. Bonds5

About N-methyl-2-(3-methyl-2-oxo-4H-quinazolin-1-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide

N-methyl-2-(3-methyl-2-oxo-4H-quinazolin-1-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide (PubChem CID 70750692) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-methyl-2-(3-methyl-2-oxo-4H-quinazolin-1-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(3-methyl-2-oxo-4H-quinazolin-1-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide
PubChem CID70750692
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC NameN-methyl-2-(3-methyl-2-oxo-4H-quinazolin-1-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide
SMILESCC(C)c1nc(CN(C)C(=O)CN2C(=O)N(C)Cc3ccccc32)no1
InChIInChI=1S/C18H23N5O3/c1-12(2)17-19-15(20-26-17)10-21(3)16(24)11-23-14-8-6-5-7-13(14)9-22(4)18(23)25/h5-8,12H,9-11H2,1-4H3
InChIKeyUHLXHKWLYHMAHJ-UHFFFAOYSA-N
XLogP2.22
TPSA82.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-methyl-2-oxo-4H-quinazolin-1-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide?
The IUPAC name of N-methyl-2-(3-methyl-2-oxo-4H-quinazolin-1-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide (CID 70750692) is N-methyl-2-(3-methyl-2-oxo-4H-quinazolin-1-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide.
What is the SMILES notation for N-methyl-2-(3-methyl-2-oxo-4H-quinazolin-1-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide?
The canonical SMILES for N-methyl-2-(3-methyl-2-oxo-4H-quinazolin-1-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide is CC(C)c1nc(CN(C)C(=O)CN2C(=O)N(C)Cc3ccccc32)no1.
What is the InChIKey of N-methyl-2-(3-methyl-2-oxo-4H-quinazolin-1-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide?
The InChIKey is UHLXHKWLYHMAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-12(2)17-19-15(20-26-17)10-21(3)16(24)11-23-14-8-6-5-7-13(14)9-22(4)18(23)25/h5-8,12H,9-11H2,1-4H3.
What are the key properties of N-methyl-2-(3-methyl-2-oxo-4H-quinazolin-1-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide?
N-methyl-2-(3-methyl-2-oxo-4H-quinazolin-1-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide has a molecular weight of 357.41 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-methyl-2-oxo-4H-quinazolin-1-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide is sourced from PubChem (CID 70750692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).