(2R)-2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one

C14H15ClN2O3S — CID 94193863

IUPAC(2R)-2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one
SMILESC[C@@H](Sc1nc2cc(Cl)ccc2o1)C(=O)N1CCOCC1
InChIInChI=1S/C14H15ClN2O3S/c1-9(13(18)17-4-6-19-7-5-17)21-14-16-11-8-10(15)2-3-12(11)20-14/h2-3,8-9H,4-7H2,1H3/t9-/m1/s1
InChIKeyDSXMQZNFJVYZGC-SECBINFHSA-N
MW326.81 g/mol
LogP2.82
Rot. Bonds3

About (2R)-2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one

(2R)-2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one (PubChem CID 94193863) has the molecular formula C14H15ClN2O3S and a molecular weight of 326.81 g/mol. Its IUPAC name is (2R)-2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one
PubChem CID94193863
Molecular FormulaC14H15ClN2O3S
Molecular Weight326.81 g/mol
Exact Mass326.05
IUPAC Name(2R)-2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one
SMILESC[C@@H](Sc1nc2cc(Cl)ccc2o1)C(=O)N1CCOCC1
InChIInChI=1S/C14H15ClN2O3S/c1-9(13(18)17-4-6-19-7-5-17)21-14-16-11-8-10(15)2-3-12(11)20-14/h2-3,8-9H,4-7H2,1H3/t9-/m1/s1
InChIKeyDSXMQZNFJVYZGC-SECBINFHSA-N
XLogP2.82
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one with MolForge

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Launch Full Analysis

Related Compounds

2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one
CID 16525767
5-chloro-2-propan-2-ylsulfanyl-1,3-benzoxazole
CID 11310720
N-(1,3-benzodioxol-5-yl)-2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]propanamide
CID 78760918
2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(cyclohexylcarbamoyl)propanamide
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(2R)-2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]propanamide
CID 7963456
7-chloro-3-(3-methylphenyl)-2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylquinazolin-4-one
CID 42972283
2-amino-1-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(oxan-4-yl)ethanone
CID 120798570
3-(3-chlorophenyl)-2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylquinazolin-4-one
CID 16500242
(2R)-2-(4-methylquinolin-2-yl)sulfanyl-1-morpholin-4-ylpropan-1-one
CID 41138346
(2S)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one
CID 7795906
3-amino-1-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-2-methylbutan-1-one
CID 120503150
(2R)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 41042415

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of (2R)-2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one (CID 94193863) is (2R)-2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for (2R)-2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for (2R)-2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one is C[C@@H](Sc1nc2cc(Cl)ccc2o1)C(=O)N1CCOCC1.
What is the InChIKey of (2R)-2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is DSXMQZNFJVYZGC-SECBINFHSA-N. The full InChI is InChI=1S/C14H15ClN2O3S/c1-9(13(18)17-4-6-19-7-5-17)21-14-16-11-8-10(15)2-3-12(11)20-14/h2-3,8-9H,4-7H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one?
(2R)-2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 326.81 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 94193863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).