2-chloro-4-(1,3-oxazol-2-ylmethylamino)quinazolin-8-ol

C12H9ClN4O2 — CID 171561808

IUPAC2-chloro-4-(1,3-oxazol-2-ylmethylamino)quinazolin-8-ol
SMILESOc1cccc2c(NCc3ncco3)nc(Cl)nc12
InChIInChI=1S/C12H9ClN4O2/c13-12-16-10-7(2-1-3-8(10)18)11(17-12)15-6-9-14-4-5-19-9/h1-5,18H,6H2,(H,15,16,17)
InChIKeyLDMCKGUGQFDIHI-UHFFFAOYSA-N
MW276.68 g/mol
LogP2.59
Rot. Bonds3

About 2-chloro-4-(1,3-oxazol-2-ylmethylamino)quinazolin-8-ol

2-chloro-4-(1,3-oxazol-2-ylmethylamino)quinazolin-8-ol (PubChem CID 171561808) has the molecular formula C12H9ClN4O2 and a molecular weight of 276.68 g/mol. Its IUPAC name is 2-chloro-4-(1,3-oxazol-2-ylmethylamino)quinazolin-8-ol.

Molecular Properties

Compound Name2-chloro-4-(1,3-oxazol-2-ylmethylamino)quinazolin-8-ol
PubChem CID171561808
Molecular FormulaC12H9ClN4O2
Molecular Weight276.68 g/mol
Exact Mass276.04
IUPAC Name2-chloro-4-(1,3-oxazol-2-ylmethylamino)quinazolin-8-ol
SMILESOc1cccc2c(NCc3ncco3)nc(Cl)nc12
InChIInChI=1S/C12H9ClN4O2/c13-12-16-10-7(2-1-3-8(10)18)11(17-12)15-6-9-14-4-5-19-9/h1-5,18H,6H2,(H,15,16,17)
InChIKeyLDMCKGUGQFDIHI-UHFFFAOYSA-N
XLogP2.59
TPSA84.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.68
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1,3-oxazol-2-ylmethylamino)quinazolin-8-ol?
The IUPAC name of 2-chloro-4-(1,3-oxazol-2-ylmethylamino)quinazolin-8-ol (CID 171561808) is 2-chloro-4-(1,3-oxazol-2-ylmethylamino)quinazolin-8-ol.
What is the SMILES notation for 2-chloro-4-(1,3-oxazol-2-ylmethylamino)quinazolin-8-ol?
The canonical SMILES for 2-chloro-4-(1,3-oxazol-2-ylmethylamino)quinazolin-8-ol is Oc1cccc2c(NCc3ncco3)nc(Cl)nc12.
What is the InChIKey of 2-chloro-4-(1,3-oxazol-2-ylmethylamino)quinazolin-8-ol?
The InChIKey is LDMCKGUGQFDIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4O2/c13-12-16-10-7(2-1-3-8(10)18)11(17-12)15-6-9-14-4-5-19-9/h1-5,18H,6H2,(H,15,16,17).
What are the key properties of 2-chloro-4-(1,3-oxazol-2-ylmethylamino)quinazolin-8-ol?
2-chloro-4-(1,3-oxazol-2-ylmethylamino)quinazolin-8-ol has a molecular weight of 276.68 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1,3-oxazol-2-ylmethylamino)quinazolin-8-ol is sourced from PubChem (CID 171561808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).