N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine

C20H18N4O — CID 3233968

IUPACN-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine
SMILESCc1noc(C)c1-c1nc(NCc2ccccc2)c2ccccc2n1
InChIInChI=1S/C20H18N4O/c1-13-18(14(2)25-24-13)20-22-17-11-7-6-10-16(17)19(23-20)21-12-15-8-4-3-5-9-15/h3-11H,12H2,1-2H3,(H,21,22,23)
InChIKeyMYDQEPXTTMQSHN-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.51
Rot. Bonds4

About N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine

N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine (PubChem CID 3233968) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine
PubChem CID3233968
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC NameN-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine
SMILESCc1noc(C)c1-c1nc(NCc2ccccc2)c2ccccc2n1
InChIInChI=1S/C20H18N4O/c1-13-18(14(2)25-24-13)20-22-17-11-7-6-10-16(17)19(23-20)21-12-15-8-4-3-5-9-15/h3-11H,12H2,1-2H3,(H,21,22,23)
InChIKeyMYDQEPXTTMQSHN-UHFFFAOYSA-N
XLogP4.51
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine?
The IUPAC name of N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine (CID 3233968) is N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine.
What is the SMILES notation for N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine?
The canonical SMILES for N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine is Cc1noc(C)c1-c1nc(NCc2ccccc2)c2ccccc2n1.
What is the InChIKey of N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine?
The InChIKey is MYDQEPXTTMQSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-13-18(14(2)25-24-13)20-22-17-11-7-6-10-16(17)19(23-20)21-12-15-8-4-3-5-9-15/h3-11H,12H2,1-2H3,(H,21,22,23).
What are the key properties of N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine?
N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine has a molecular weight of 330.39 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine is sourced from PubChem (CID 3233968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).