2-[[methyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-3H-quinazolin-4-one

C19H17N5O2 — CID 135570331

IUPAC2-[[methyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-3H-quinazolin-4-one
SMILESCN(Cc1nc2ccccc2c(=O)[nH]1)Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C19H17N5O2/c1-24(11-16-20-15-10-6-5-9-14(15)19(25)21-16)12-17-22-18(23-26-17)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,20,21,25)
InChIKeyNTAOBVMXNYILGC-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.61
Rot. Bonds5

About 2-[[methyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-3H-quinazolin-4-one

2-[[methyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-3H-quinazolin-4-one (PubChem CID 135570331) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 2-[[methyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[[methyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-3H-quinazolin-4-one
PubChem CID135570331
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name2-[[methyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-3H-quinazolin-4-one
SMILESCN(Cc1nc2ccccc2c(=O)[nH]1)Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C19H17N5O2/c1-24(11-16-20-15-10-6-5-9-14(15)19(25)21-16)12-17-22-18(23-26-17)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,20,21,25)
InChIKeyNTAOBVMXNYILGC-UHFFFAOYSA-N
XLogP2.61
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[[methyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-3H-quinazolin-4-one (CID 135570331) is 2-[[methyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[[methyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[[methyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-3H-quinazolin-4-one is CN(Cc1nc2ccccc2c(=O)[nH]1)Cc1nc(-c2ccccc2)no1.
What is the InChIKey of 2-[[methyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-3H-quinazolin-4-one?
The InChIKey is NTAOBVMXNYILGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-24(11-16-20-15-10-6-5-9-14(15)19(25)21-16)12-17-22-18(23-26-17)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,20,21,25).
What are the key properties of 2-[[methyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-3H-quinazolin-4-one?
2-[[methyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-3H-quinazolin-4-one has a molecular weight of 347.38 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135570331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).