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

C15H15N5O3 — CID 135637123

IUPACN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESCc1noc(CNC(=O)CCc2nc3ccccc3c(=O)[nH]2)n1
InChIInChI=1S/C15H15N5O3/c1-9-17-14(23-20-9)8-16-13(21)7-6-12-18-11-5-3-2-4-10(11)15(22)19-12/h2-5H,6-8H2,1H3,(H,16,21)(H,18,19,22)
InChIKeyUXFHZXZDGSLFNJ-UHFFFAOYSA-N
MW313.32 g/mol
LogP0.86
Rot. Bonds5

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

N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide (PubChem CID 135637123) has the molecular formula C15H15N5O3 and a molecular weight of 313.32 g/mol. Its IUPAC name is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide.

Molecular Properties

Compound NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
PubChem CID135637123
Molecular FormulaC15H15N5O3
Molecular Weight313.32 g/mol
Exact Mass313.12
IUPAC NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESCc1noc(CNC(=O)CCc2nc3ccccc3c(=O)[nH]2)n1
InChIInChI=1S/C15H15N5O3/c1-9-17-14(23-20-9)8-16-13(21)7-6-12-18-11-5-3-2-4-10(11)15(22)19-12/h2-5H,6-8H2,1H3,(H,16,21)(H,18,19,22)
InChIKeyUXFHZXZDGSLFNJ-UHFFFAOYSA-N
XLogP0.86
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide with MolForge

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Related Compounds

3-(4-oxo-3H-quinazolin-2-yl)-N-prop-2-ynylpropanamide
CID 135687166
3-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenylethyl)propanamide
CID 135636453
N,N-dimethyl-4-[[3-(4-oxo-3H-quinazolin-2-yl)propanoylamino]methyl]benzamide
CID 137300676
N-[(3-fluorophenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137292595
N-[2-(4-methoxyphenoxy)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137303645
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135794841
N-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135939335
N-[2-(dimethylsulfamoyl)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135637114
4-(4-oxo-3H-quinazolin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]butanamide
CID 137285634
4-hydroxy-N'-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]benzohydrazide
CID 135767696
N-(2-methylbutan-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135522437
N-benzhydryl-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135724863

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide (CID 135637123) is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide.
What is the SMILES notation for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The canonical SMILES for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide is Cc1noc(CNC(=O)CCc2nc3ccccc3c(=O)[nH]2)n1.
What is the InChIKey of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The InChIKey is UXFHZXZDGSLFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3/c1-9-17-14(23-20-9)8-16-13(21)7-6-12-18-11-5-3-2-4-10(11)15(22)19-12/h2-5H,6-8H2,1H3,(H,16,21)(H,18,19,22).
What are the key properties of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide has a molecular weight of 313.32 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide is sourced from PubChem (CID 135637123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).