N,N-dimethyl-2-(3-methylbutyl)-6-(1,3-oxazol-5-yl)quinazolin-4-amine

C18H22N4O — CID 121255932

IUPACN,N-dimethyl-2-(3-methylbutyl)-6-(1,3-oxazol-5-yl)quinazolin-4-amine
SMILESCC(C)CCc1nc(N(C)C)c2cc(-c3cnco3)ccc2n1
InChIInChI=1S/C18H22N4O/c1-12(2)5-8-17-20-15-7-6-13(16-10-19-11-23-16)9-14(15)18(21-17)22(3)4/h6-7,9-12H,5,8H2,1-4H3
InChIKeyAPOMINDZIRGCFV-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.94
Rot. Bonds5

About N,N-dimethyl-2-(3-methylbutyl)-6-(1,3-oxazol-5-yl)quinazolin-4-amine

N,N-dimethyl-2-(3-methylbutyl)-6-(1,3-oxazol-5-yl)quinazolin-4-amine (PubChem CID 121255932) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N,N-dimethyl-2-(3-methylbutyl)-6-(1,3-oxazol-5-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-(3-methylbutyl)-6-(1,3-oxazol-5-yl)quinazolin-4-amine
PubChem CID121255932
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN,N-dimethyl-2-(3-methylbutyl)-6-(1,3-oxazol-5-yl)quinazolin-4-amine
SMILESCC(C)CCc1nc(N(C)C)c2cc(-c3cnco3)ccc2n1
InChIInChI=1S/C18H22N4O/c1-12(2)5-8-17-20-15-7-6-13(16-10-19-11-23-16)9-14(15)18(21-17)22(3)4/h6-7,9-12H,5,8H2,1-4H3
InChIKeyAPOMINDZIRGCFV-UHFFFAOYSA-N
XLogP3.94
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(3-methylbutyl)-6-(1,3-oxazol-5-yl)quinazolin-4-amine?
The IUPAC name of N,N-dimethyl-2-(3-methylbutyl)-6-(1,3-oxazol-5-yl)quinazolin-4-amine (CID 121255932) is N,N-dimethyl-2-(3-methylbutyl)-6-(1,3-oxazol-5-yl)quinazolin-4-amine.
What is the SMILES notation for N,N-dimethyl-2-(3-methylbutyl)-6-(1,3-oxazol-5-yl)quinazolin-4-amine?
The canonical SMILES for N,N-dimethyl-2-(3-methylbutyl)-6-(1,3-oxazol-5-yl)quinazolin-4-amine is CC(C)CCc1nc(N(C)C)c2cc(-c3cnco3)ccc2n1.
What is the InChIKey of N,N-dimethyl-2-(3-methylbutyl)-6-(1,3-oxazol-5-yl)quinazolin-4-amine?
The InChIKey is APOMINDZIRGCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-12(2)5-8-17-20-15-7-6-13(16-10-19-11-23-16)9-14(15)18(21-17)22(3)4/h6-7,9-12H,5,8H2,1-4H3.
What are the key properties of N,N-dimethyl-2-(3-methylbutyl)-6-(1,3-oxazol-5-yl)quinazolin-4-amine?
N,N-dimethyl-2-(3-methylbutyl)-6-(1,3-oxazol-5-yl)quinazolin-4-amine has a molecular weight of 310.40 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(3-methylbutyl)-6-(1,3-oxazol-5-yl)quinazolin-4-amine is sourced from PubChem (CID 121255932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).