N-[(1R)-1-[3-[(2-methyl-4-oxoquinazolin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide

C21H19N5O3 — CID 93074870

IUPACN-[(1R)-1-[3-[(2-methyl-4-oxoquinazolin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
SMILESCc1nc2ccccc2c(=O)n1Cc1noc([C@@H](C)NC(=O)c2ccccc2)n1
InChIInChI=1S/C21H19N5O3/c1-13(22-19(27)15-8-4-3-5-9-15)20-24-18(25-29-20)12-26-14(2)23-17-11-7-6-10-16(17)21(26)28/h3-11,13H,12H2,1-2H3,(H,22,27)/t13-/m1/s1
InChIKeyZLSSEFMZZSWTJZ-CYBMUJFWSA-N
MW389.42 g/mol
LogP2.63
Rot. Bonds5

About N-[(1R)-1-[3-[(2-methyl-4-oxoquinazolin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide

N-[(1R)-1-[3-[(2-methyl-4-oxoquinazolin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide (PubChem CID 93074870) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is N-[(1R)-1-[3-[(2-methyl-4-oxoquinazolin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[(1R)-1-[3-[(2-methyl-4-oxoquinazolin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
PubChem CID93074870
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC NameN-[(1R)-1-[3-[(2-methyl-4-oxoquinazolin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
SMILESCc1nc2ccccc2c(=O)n1Cc1noc([C@@H](C)NC(=O)c2ccccc2)n1
InChIInChI=1S/C21H19N5O3/c1-13(22-19(27)15-8-4-3-5-9-15)20-24-18(25-29-20)12-26-14(2)23-17-11-7-6-10-16(17)21(26)28/h3-11,13H,12H2,1-2H3,(H,22,27)/t13-/m1/s1
InChIKeyZLSSEFMZZSWTJZ-CYBMUJFWSA-N
XLogP2.63
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(1R)-1-[3-[(2-methyl-4-oxoquinazolin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide with MolForge

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Related Compounds

N-[(1R)-1-[3-[(2-ethyl-4-oxoquinazolin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 93074872
N-[[3-[(2-methyl-4-oxoquinazolin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 53005362
3-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylquinazolin-4-one
CID 53060188
3-[[5-(1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylquinazolin-4-one
CID 136665751
3-[[5-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylquinazolin-4-one
CID 53060174
2-(2-methyl-4-oxoquinazolin-3-yl)acetate
CID 6971388
N-[1-[3-(3-methyl-2-oxo-1-propylquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 53041991
N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide
CID 5400747
N-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 807598
2-[(2-methyl-4-oxoquinazolin-3-yl)methylsulfanyl]propanoic acid
CID 21004528
N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide;hydrochloride
CID 120864077
methyl 2-[4-oxo-2-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]quinazolin-3-yl]acetate
CID 42948055

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-[(2-methyl-4-oxoquinazolin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The IUPAC name of N-[(1R)-1-[3-[(2-methyl-4-oxoquinazolin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide (CID 93074870) is N-[(1R)-1-[3-[(2-methyl-4-oxoquinazolin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide.
What is the SMILES notation for N-[(1R)-1-[3-[(2-methyl-4-oxoquinazolin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The canonical SMILES for N-[(1R)-1-[3-[(2-methyl-4-oxoquinazolin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide is Cc1nc2ccccc2c(=O)n1Cc1noc([C@@H](C)NC(=O)c2ccccc2)n1.
What is the InChIKey of N-[(1R)-1-[3-[(2-methyl-4-oxoquinazolin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The InChIKey is ZLSSEFMZZSWTJZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-13(22-19(27)15-8-4-3-5-9-15)20-24-18(25-29-20)12-26-14(2)23-17-11-7-6-10-16(17)21(26)28/h3-11,13H,12H2,1-2H3,(H,22,27)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-[3-[(2-methyl-4-oxoquinazolin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
N-[(1R)-1-[3-[(2-methyl-4-oxoquinazolin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide has a molecular weight of 389.42 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[3-[(2-methyl-4-oxoquinazolin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide is sourced from PubChem (CID 93074870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).