5-[[2-chloro-4-(1,3-thiazol-2-ylmethylamino)quinazolin-8-yl]oxymethyl]-1,3-oxazolidin-2-one

C16H14ClN5O3S — CID 171561883

IUPAC5-[[2-chloro-4-(1,3-thiazol-2-ylmethylamino)quinazolin-8-yl]oxymethyl]-1,3-oxazolidin-2-one
SMILESO=C1NCC(COc2cccc3c(NCc4nccs4)nc(Cl)nc23)O1
InChIInChI=1S/C16H14ClN5O3S/c17-15-21-13-10(14(22-15)19-7-12-18-4-5-26-12)2-1-3-11(13)24-8-9-6-20-16(23)25-9/h1-5,9H,6-8H2,(H,20,23)(H,19,21,22)
InChIKeyAALWFUZJVIPXFY-UHFFFAOYSA-N
MW391.84 g/mol
LogP2.84
Rot. Bonds6

About 5-[[2-chloro-4-(1,3-thiazol-2-ylmethylamino)quinazolin-8-yl]oxymethyl]-1,3-oxazolidin-2-one

5-[[2-chloro-4-(1,3-thiazol-2-ylmethylamino)quinazolin-8-yl]oxymethyl]-1,3-oxazolidin-2-one (PubChem CID 171561883) has the molecular formula C16H14ClN5O3S and a molecular weight of 391.84 g/mol. Its IUPAC name is 5-[[2-chloro-4-(1,3-thiazol-2-ylmethylamino)quinazolin-8-yl]oxymethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[[2-chloro-4-(1,3-thiazol-2-ylmethylamino)quinazolin-8-yl]oxymethyl]-1,3-oxazolidin-2-one
PubChem CID171561883
Molecular FormulaC16H14ClN5O3S
Molecular Weight391.84 g/mol
Exact Mass391.05
IUPAC Name5-[[2-chloro-4-(1,3-thiazol-2-ylmethylamino)quinazolin-8-yl]oxymethyl]-1,3-oxazolidin-2-one
SMILESO=C1NCC(COc2cccc3c(NCc4nccs4)nc(Cl)nc23)O1
InChIInChI=1S/C16H14ClN5O3S/c17-15-21-13-10(14(22-15)19-7-12-18-4-5-26-12)2-1-3-11(13)24-8-9-6-20-16(23)25-9/h1-5,9H,6-8H2,(H,20,23)(H,19,21,22)
InChIKeyAALWFUZJVIPXFY-UHFFFAOYSA-N
XLogP2.84
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.84
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-chloro-4-(1,3-thiazol-2-ylmethylamino)quinazolin-8-yl]oxymethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[[2-chloro-4-(1,3-thiazol-2-ylmethylamino)quinazolin-8-yl]oxymethyl]-1,3-oxazolidin-2-one (CID 171561883) is 5-[[2-chloro-4-(1,3-thiazol-2-ylmethylamino)quinazolin-8-yl]oxymethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[[2-chloro-4-(1,3-thiazol-2-ylmethylamino)quinazolin-8-yl]oxymethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[[2-chloro-4-(1,3-thiazol-2-ylmethylamino)quinazolin-8-yl]oxymethyl]-1,3-oxazolidin-2-one is O=C1NCC(COc2cccc3c(NCc4nccs4)nc(Cl)nc23)O1.
What is the InChIKey of 5-[[2-chloro-4-(1,3-thiazol-2-ylmethylamino)quinazolin-8-yl]oxymethyl]-1,3-oxazolidin-2-one?
The InChIKey is AALWFUZJVIPXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O3S/c17-15-21-13-10(14(22-15)19-7-12-18-4-5-26-12)2-1-3-11(13)24-8-9-6-20-16(23)25-9/h1-5,9H,6-8H2,(H,20,23)(H,19,21,22).
What are the key properties of 5-[[2-chloro-4-(1,3-thiazol-2-ylmethylamino)quinazolin-8-yl]oxymethyl]-1,3-oxazolidin-2-one?
5-[[2-chloro-4-(1,3-thiazol-2-ylmethylamino)quinazolin-8-yl]oxymethyl]-1,3-oxazolidin-2-one has a molecular weight of 391.84 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-chloro-4-(1,3-thiazol-2-ylmethylamino)quinazolin-8-yl]oxymethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 171561883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).