5-chloro-3-(morpholin-4-ylmethyl)-1,3-benzoxazol-2-one

C12H13ClN2O3 — CID 27842

IUPAC5-chloro-3-(morpholin-4-ylmethyl)-1,3-benzoxazol-2-one
SMILESO=c1oc2ccc(Cl)cc2n1CN1CCOCC1
InChIInChI=1S/C12H13ClN2O3/c13-9-1-2-11-10(7-9)15(12(16)18-11)8-14-3-5-17-6-4-14/h1-2,7H,3-6,8H2
InChIKeyHUXKPGMUERDTKR-UHFFFAOYSA-N
MW268.70 g/mol
LogP1.54
Rot. Bonds2

About 5-chloro-3-(morpholin-4-ylmethyl)-1,3-benzoxazol-2-one

5-chloro-3-(morpholin-4-ylmethyl)-1,3-benzoxazol-2-one (PubChem CID 27842) has the molecular formula C12H13ClN2O3 and a molecular weight of 268.70 g/mol. Its IUPAC name is 5-chloro-3-(morpholin-4-ylmethyl)-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-chloro-3-(morpholin-4-ylmethyl)-1,3-benzoxazol-2-one
PubChem CID27842
Molecular FormulaC12H13ClN2O3
Molecular Weight268.70 g/mol
Exact Mass268.06
IUPAC Name5-chloro-3-(morpholin-4-ylmethyl)-1,3-benzoxazol-2-one
SMILESO=c1oc2ccc(Cl)cc2n1CN1CCOCC1
InChIInChI=1S/C12H13ClN2O3/c13-9-1-2-11-10(7-9)15(12(16)18-11)8-14-3-5-17-6-4-14/h1-2,7H,3-6,8H2
InChIKeyHUXKPGMUERDTKR-UHFFFAOYSA-N
XLogP1.54
TPSA47.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-chloro-3-(morpholin-4-ylmethyl)-1,3-benzoxazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Phenyl 5-Chloro-2-Oxobenzo(D)Oxazole-3(2H)-Carboxylate
CID 555874
3-Benzoxazolinecarboxylic acid, 5-chloro-2-oxo-, ethyl ester
CID 212810
2-Benzoxazolinone, 5-chloro-3-methyl-
CID 22033
2-Benzoxazolinone, 5-chloro-3-ethyl-
CID 22034
2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methyl-N-phenylacetamide
CID 70689087
N-(5-chloro-2-methoxyphenyl)-N'-(1-propyl-4-piperidinyl)urea
CID 971845
N-(5-chloro-2-methoxyphenyl)-N'-[2-(1-piperidinyl)ethyl]urea
CID 2225448
ethyl 4-{[(5-chloro-2-methoxyanilino)carbonyl]amino}tetrahydro-1(2H)-pyridinecarboxylate
CID 2812259
5-chloro-3-(3-oxo-3-(4-phenylpiperazin-1-yl)propyl)benzo[d]oxazol-2(3H)-one
CID 8037985
3-(5-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic acid
CID 4396579
N-(5-chloro-2-methoxyphenyl)-4-methylpiperazine-1-carboxamide
CID 4594798
1-(5-Chloro-2-methoxy-phenyl)-3-(8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl)-imidazolidin-2-one
CID 19797408

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(morpholin-4-ylmethyl)-1,3-benzoxazol-2-one?
The IUPAC name of 5-chloro-3-(morpholin-4-ylmethyl)-1,3-benzoxazol-2-one (CID 27842) is 5-chloro-3-(morpholin-4-ylmethyl)-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-chloro-3-(morpholin-4-ylmethyl)-1,3-benzoxazol-2-one?
The canonical SMILES for 5-chloro-3-(morpholin-4-ylmethyl)-1,3-benzoxazol-2-one is O=c1oc2ccc(Cl)cc2n1CN1CCOCC1.
What is the InChIKey of 5-chloro-3-(morpholin-4-ylmethyl)-1,3-benzoxazol-2-one?
The InChIKey is HUXKPGMUERDTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3/c13-9-1-2-11-10(7-9)15(12(16)18-11)8-14-3-5-17-6-4-14/h1-2,7H,3-6,8H2.
What are the key properties of 5-chloro-3-(morpholin-4-ylmethyl)-1,3-benzoxazol-2-one?
5-chloro-3-(morpholin-4-ylmethyl)-1,3-benzoxazol-2-one has a molecular weight of 268.70 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(morpholin-4-ylmethyl)-1,3-benzoxazol-2-one is sourced from PubChem (CID 27842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).