N-(3-methoxypropyl)-2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine

C21H21N5O2 — CID 53012971

IUPACN-(3-methoxypropyl)-2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine
SMILESCOCCCNc1nc(-c2nnc(-c3cccc(C)c3)o2)nc2ccccc12
InChIInChI=1S/C21H21N5O2/c1-14-7-5-8-15(13-14)20-25-26-21(28-20)19-23-17-10-4-3-9-16(17)18(24-19)22-11-6-12-27-2/h3-5,7-10,13H,6,11-12H2,1-2H3,(H,22,23,24)
InChIKeyDFTHZLGGGBKOIS-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.10
Rot. Bonds7

About N-(3-methoxypropyl)-2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine

N-(3-methoxypropyl)-2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine (PubChem CID 53012971) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine
PubChem CID53012971
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC NameN-(3-methoxypropyl)-2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine
SMILESCOCCCNc1nc(-c2nnc(-c3cccc(C)c3)o2)nc2ccccc12
InChIInChI=1S/C21H21N5O2/c1-14-7-5-8-15(13-14)20-25-26-21(28-20)19-23-17-10-4-3-9-16(17)18(24-19)22-11-6-12-27-2/h3-5,7-10,13H,6,11-12H2,1-2H3,(H,22,23,24)
InChIKeyDFTHZLGGGBKOIS-UHFFFAOYSA-N
XLogP4.10
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-methoxypropyl)-2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine?
The IUPAC name of N-(3-methoxypropyl)-2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine (CID 53012971) is N-(3-methoxypropyl)-2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine.
What is the SMILES notation for N-(3-methoxypropyl)-2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine?
The canonical SMILES for N-(3-methoxypropyl)-2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine is COCCCNc1nc(-c2nnc(-c3cccc(C)c3)o2)nc2ccccc12.
What is the InChIKey of N-(3-methoxypropyl)-2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine?
The InChIKey is DFTHZLGGGBKOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-14-7-5-8-15(13-14)20-25-26-21(28-20)19-23-17-10-4-3-9-16(17)18(24-19)22-11-6-12-27-2/h3-5,7-10,13H,6,11-12H2,1-2H3,(H,22,23,24).
What are the key properties of N-(3-methoxypropyl)-2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine?
N-(3-methoxypropyl)-2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine has a molecular weight of 375.43 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine is sourced from PubChem (CID 53012971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).