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

C20H17N5O3 — CID 53005362

IUPACN-[[3-[(2-methyl-4-oxoquinazolin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
SMILESCc1nc2ccccc2c(=O)n1Cc1noc(CNC(=O)c2ccccc2)n1
InChIInChI=1S/C20H17N5O3/c1-13-22-16-10-6-5-9-15(16)20(27)25(13)12-17-23-18(28-24-17)11-21-19(26)14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,21,26)
InChIKeyNVPWEDACHLLUJC-UHFFFAOYSA-N
MW375.39 g/mol
LogP2.07
Rot. Bonds5

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

N-[[3-[(2-methyl-4-oxoquinazolin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide (PubChem CID 53005362) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is N-[[3-[(2-methyl-4-oxoquinazolin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[3-[(2-methyl-4-oxoquinazolin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
PubChem CID53005362
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC NameN-[[3-[(2-methyl-4-oxoquinazolin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
SMILESCc1nc2ccccc2c(=O)n1Cc1noc(CNC(=O)c2ccccc2)n1
InChIInChI=1S/C20H17N5O3/c1-13-22-16-10-6-5-9-15(16)20(27)25(13)12-17-23-18(28-24-17)11-21-19(26)14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,21,26)
InChIKeyNVPWEDACHLLUJC-UHFFFAOYSA-N
XLogP2.07
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-[(1R)-1-[3-[(2-methyl-4-oxoquinazolin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 93074870
3-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylquinazolin-4-one
CID 53060188
N-[(1R)-1-[3-[(2-ethyl-4-oxoquinazolin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 93074872
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-benzyl-2-[[2-(2-methyl-4-oxoquinazolin-3-yl)acetyl]amino]acetamide
CID 39822353
N-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 807598
N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide
CID 91794913
N-[[3-[5-[(propanoylamino)methyl]thiophen-2-yl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 53126049
methyl 2-[(2-methyl-4-oxoquinazolin-3-yl)methylsulfanyl]acetate
CID 21004517
N-[[4-(methoxymethyl)phenyl]methyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 46415784

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-methyl-4-oxoquinazolin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The IUPAC name of N-[[3-[(2-methyl-4-oxoquinazolin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide (CID 53005362) is N-[[3-[(2-methyl-4-oxoquinazolin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide.
What is the SMILES notation for N-[[3-[(2-methyl-4-oxoquinazolin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The canonical SMILES for N-[[3-[(2-methyl-4-oxoquinazolin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide is Cc1nc2ccccc2c(=O)n1Cc1noc(CNC(=O)c2ccccc2)n1.
What is the InChIKey of N-[[3-[(2-methyl-4-oxoquinazolin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The InChIKey is NVPWEDACHLLUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3/c1-13-22-16-10-6-5-9-15(16)20(27)25(13)12-17-23-18(28-24-17)11-21-19(26)14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,21,26).
What are the key properties of N-[[3-[(2-methyl-4-oxoquinazolin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide?
N-[[3-[(2-methyl-4-oxoquinazolin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide has a molecular weight of 375.39 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-methyl-4-oxoquinazolin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide is sourced from PubChem (CID 53005362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).