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

C22H21N5O3 — CID 93074872

IUPACN-[(1R)-1-[3-[(2-ethyl-4-oxoquinazolin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
SMILESCCc1nc2ccccc2c(=O)n1Cc1noc([C@@H](C)NC(=O)c2ccccc2)n1
InChIInChI=1S/C22H21N5O3/c1-3-19-24-17-12-8-7-11-16(17)22(29)27(19)13-18-25-21(30-26-18)14(2)23-20(28)15-9-5-4-6-10-15/h4-12,14H,3,13H2,1-2H3,(H,23,28)/t14-/m1/s1
InChIKeyYKHVFCBDJZAMIC-CQSZACIVSA-N
MW403.44 g/mol
LogP2.88
Rot. Bonds6

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

N-[(1R)-1-[3-[(2-ethyl-4-oxoquinazolin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide (PubChem CID 93074872) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is N-[(1R)-1-[3-[(2-ethyl-4-oxoquinazolin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[(1R)-1-[3-[(2-ethyl-4-oxoquinazolin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
PubChem CID93074872
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC NameN-[(1R)-1-[3-[(2-ethyl-4-oxoquinazolin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
SMILESCCc1nc2ccccc2c(=O)n1Cc1noc([C@@H](C)NC(=O)c2ccccc2)n1
InChIInChI=1S/C22H21N5O3/c1-3-19-24-17-12-8-7-11-16(17)22(29)27(19)13-18-25-21(30-26-18)14(2)23-20(28)15-9-5-4-6-10-15/h4-12,14H,3,13H2,1-2H3,(H,23,28)/t14-/m1/s1
InChIKeyYKHVFCBDJZAMIC-CQSZACIVSA-N
XLogP2.88
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-[(2-ethyl-4-oxoquinazolin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The IUPAC name of N-[(1R)-1-[3-[(2-ethyl-4-oxoquinazolin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide (CID 93074872) is N-[(1R)-1-[3-[(2-ethyl-4-oxoquinazolin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide.
What is the SMILES notation for N-[(1R)-1-[3-[(2-ethyl-4-oxoquinazolin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The canonical SMILES for N-[(1R)-1-[3-[(2-ethyl-4-oxoquinazolin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide is CCc1nc2ccccc2c(=O)n1Cc1noc([C@@H](C)NC(=O)c2ccccc2)n1.
What is the InChIKey of N-[(1R)-1-[3-[(2-ethyl-4-oxoquinazolin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The InChIKey is YKHVFCBDJZAMIC-CQSZACIVSA-N. The full InChI is InChI=1S/C22H21N5O3/c1-3-19-24-17-12-8-7-11-16(17)22(29)27(19)13-18-25-21(30-26-18)14(2)23-20(28)15-9-5-4-6-10-15/h4-12,14H,3,13H2,1-2H3,(H,23,28)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-[3-[(2-ethyl-4-oxoquinazolin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
N-[(1R)-1-[3-[(2-ethyl-4-oxoquinazolin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide has a molecular weight of 403.44 g/mol, XLogP of 2.88, 6 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-ethyl-4-oxoquinazolin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide is sourced from PubChem (CID 93074872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).