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

C16H16N4O — CID 3234558

IUPACN-cyclopropyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine
SMILESCc1noc(C)c1-c1nc(NC2CC2)c2ccccc2n1
InChIInChI=1S/C16H16N4O/c1-9-14(10(2)21-20-9)16-18-13-6-4-3-5-12(13)15(19-16)17-11-7-8-11/h3-6,11H,7-8H2,1-2H3,(H,17,18,19)
InChIKeyXCINVDNLCCXLLT-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.48
Rot. Bonds3

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

N-cyclopropyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine (PubChem CID 3234558) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-cyclopropyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine
PubChem CID3234558
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-cyclopropyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine
SMILESCc1noc(C)c1-c1nc(NC2CC2)c2ccccc2n1
InChIInChI=1S/C16H16N4O/c1-9-14(10(2)21-20-9)16-18-13-6-4-3-5-12(13)15(19-16)17-11-7-8-11/h3-6,11H,7-8H2,1-2H3,(H,17,18,19)
InChIKeyXCINVDNLCCXLLT-UHFFFAOYSA-N
XLogP3.48
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine?
The IUPAC name of N-cyclopropyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine (CID 3234558) is N-cyclopropyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine.
What is the SMILES notation for N-cyclopropyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine?
The canonical SMILES for N-cyclopropyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine is Cc1noc(C)c1-c1nc(NC2CC2)c2ccccc2n1.
What is the InChIKey of N-cyclopropyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine?
The InChIKey is XCINVDNLCCXLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-9-14(10(2)21-20-9)16-18-13-6-4-3-5-12(13)15(19-16)17-11-7-8-11/h3-6,11H,7-8H2,1-2H3,(H,17,18,19).
What are the key properties of N-cyclopropyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine?
N-cyclopropyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine has a molecular weight of 280.33 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine is sourced from PubChem (CID 3234558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).