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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Related Compounds

2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-ol
CID 171561832
2-chloro-4-(thiophen-2-ylmethylamino)quinazolin-8-ol
CID 171561925
2-chloro-N-(1,3-oxazol-2-ylmethyl)-7H-purin-6-amine
CID 167800154
2-[[(6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]phenol
CID 114156842
2-chloro-8-methoxy-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 171562026
2-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinazolin-4-amine
CID 55080452
5-[[2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-yl]oxymethyl]-5-methylpyrrolidin-2-one
CID 171561853
2,7-dichloro-5-fluoro-6-(3-fluorobutyl)-N-(1,3-oxazol-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 178114530
2-chloro-8-[(2,2-difluorocyclopropyl)methoxy]-N-(1,3-thiazol-2-ylmethyl)quinazolin-4-amine
CID 171561891
3-[[(2-chloroquinazolin-4-yl)amino]methyl]benzoic acid
CID 173357452
[3-[[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 106197100
2-chloro-6-ethyl-N-[(2-methylpyrimidin-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103321311

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).