2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyridin-4-ylquinazolin-4-amine

C18H15N5O — CID 3235474

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyridin-4-ylquinazolin-4-amine
SMILESCc1noc(C)c1-c1nc(Nc2ccncc2)c2ccccc2n1
InChIInChI=1S/C18H15N5O/c1-11-16(12(2)24-23-11)18-21-15-6-4-3-5-14(15)17(22-18)20-13-7-9-19-10-8-13/h3-10H,1-2H3,(H,19,20,21,22)
InChIKeyLFMPKDUDFHIAFQ-UHFFFAOYSA-N
MW317.35 g/mol
LogP4.04
Rot. Bonds3

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyridin-4-ylquinazolin-4-amine

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyridin-4-ylquinazolin-4-amine (PubChem CID 3235474) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyridin-4-ylquinazolin-4-amine.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyridin-4-ylquinazolin-4-amine
PubChem CID3235474
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyridin-4-ylquinazolin-4-amine
SMILESCc1noc(C)c1-c1nc(Nc2ccncc2)c2ccccc2n1
InChIInChI=1S/C18H15N5O/c1-11-16(12(2)24-23-11)18-21-15-6-4-3-5-14(15)17(22-18)20-13-7-9-19-10-8-13/h3-10H,1-2H3,(H,19,20,21,22)
InChIKeyLFMPKDUDFHIAFQ-UHFFFAOYSA-N
XLogP4.04
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyridin-4-ylquinazolin-4-amine?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyridin-4-ylquinazolin-4-amine (CID 3235474) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyridin-4-ylquinazolin-4-amine.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyridin-4-ylquinazolin-4-amine?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyridin-4-ylquinazolin-4-amine is Cc1noc(C)c1-c1nc(Nc2ccncc2)c2ccccc2n1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyridin-4-ylquinazolin-4-amine?
The InChIKey is LFMPKDUDFHIAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c1-11-16(12(2)24-23-11)18-21-15-6-4-3-5-14(15)17(22-18)20-13-7-9-19-10-8-13/h3-10H,1-2H3,(H,19,20,21,22).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyridin-4-ylquinazolin-4-amine?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyridin-4-ylquinazolin-4-amine has a molecular weight of 317.35 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyridin-4-ylquinazolin-4-amine is sourced from PubChem (CID 3235474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).