5-chloro-3-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,3-benzoxazol-2-one

C16H15ClN4O3S — CID 46970893

IUPAC5-chloro-3-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,3-benzoxazol-2-one
SMILESO=C(Cn1c(=O)oc2ccc(Cl)cc21)N1CCN(c2nccs2)CC1
InChIInChI=1S/C16H15ClN4O3S/c17-11-1-2-13-12(9-11)21(16(23)24-13)10-14(22)19-4-6-20(7-5-19)15-18-3-8-25-15/h1-3,8-9H,4-7,10H2
InChIKeyMTPCKRXGSUKNDZ-UHFFFAOYSA-N
MW378.84 g/mol
LogP2.05
Rot. Bonds3

About 5-chloro-3-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,3-benzoxazol-2-one

5-chloro-3-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,3-benzoxazol-2-one (PubChem CID 46970893) has the molecular formula C16H15ClN4O3S and a molecular weight of 378.84 g/mol. Its IUPAC name is 5-chloro-3-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-chloro-3-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,3-benzoxazol-2-one
PubChem CID46970893
Molecular FormulaC16H15ClN4O3S
Molecular Weight378.84 g/mol
Exact Mass378.06
IUPAC Name5-chloro-3-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,3-benzoxazol-2-one
SMILESO=C(Cn1c(=O)oc2ccc(Cl)cc21)N1CCN(c2nccs2)CC1
InChIInChI=1S/C16H15ClN4O3S/c17-11-1-2-13-12(9-11)21(16(23)24-13)10-14(22)19-4-6-20(7-5-19)15-18-3-8-25-15/h1-3,8-9H,4-7,10H2
InChIKeyMTPCKRXGSUKNDZ-UHFFFAOYSA-N
XLogP2.05
TPSA71.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.84
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 5311779
3-(5-chloro-2-oxobenzo[d]oxazol-3(2H)-yl)-N-(4-methylthiazol-2-yl)propanamide
CID 8073870
3-(2-oxo-1,3-benzoxazol-3(2H)-yl)-N-1,3-thiazol-2-ylpropanamide
CID 3243649
3-(5-chloro-2-oxobenzo[d]oxazol-3(2H)-yl)-N-(4-(N-(thiazol-2-yl)sulfamoyl)phenyl)propanamide
CID 16456955
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 4243456
N-(5-bromo-1,3-thiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 4302044
N1-(5-chloro-2-methoxyphenyl)-N4-(thiazol-2-yl)piperidine-1,4-dicarboxamide
CID 49677040
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-methyl-N-(1,3-thiazol-2-yl)acetamide
CID 45815391
2-(2-oxo-1,3-benzoxazol-3(2H)-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 2648676
2-(5-chloro-2-oxobenzo[d]oxazol-3(2H)-yl)-N-(4-(N-(thiazol-2-yl)sulfamoyl)phenyl)acetamide
CID 16416166
2-[[3-(5-chloro-2-methoxyphenyl)-7-oxo-2-sulfanylidene-6H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 135468388
1-(2-(2-oxobenzo[d]oxazol-3(2H)-yl)acetyl)-N-(thiazol-2-yl)piperidine-4-carboxamide
CID 49722836

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,3-benzoxazol-2-one?
The IUPAC name of 5-chloro-3-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,3-benzoxazol-2-one (CID 46970893) is 5-chloro-3-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-chloro-3-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 5-chloro-3-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,3-benzoxazol-2-one is O=C(Cn1c(=O)oc2ccc(Cl)cc21)N1CCN(c2nccs2)CC1.
What is the InChIKey of 5-chloro-3-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,3-benzoxazol-2-one?
The InChIKey is MTPCKRXGSUKNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O3S/c17-11-1-2-13-12(9-11)21(16(23)24-13)10-14(22)19-4-6-20(7-5-19)15-18-3-8-25-15/h1-3,8-9H,4-7,10H2.
What are the key properties of 5-chloro-3-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,3-benzoxazol-2-one?
5-chloro-3-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,3-benzoxazol-2-one has a molecular weight of 378.84 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 46970893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).