6-benzoyl-3-[2-(dimethylamino)ethyl]-1,3-benzoxazol-2-one

C18H18N2O3 — CID 10662728

IUPAC6-benzoyl-3-[2-(dimethylamino)ethyl]-1,3-benzoxazol-2-one
SMILESCN(C)CCn1c(=O)oc2cc(C(=O)c3ccccc3)ccc21
InChIInChI=1S/C18H18N2O3/c1-19(2)10-11-20-15-9-8-14(12-16(15)23-18(20)22)17(21)13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3
InChIKeyMSDCLJKAAVORFZ-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.39
Rot. Bonds5

About 6-benzoyl-3-[2-(dimethylamino)ethyl]-1,3-benzoxazol-2-one

6-benzoyl-3-[2-(dimethylamino)ethyl]-1,3-benzoxazol-2-one (PubChem CID 10662728) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 6-benzoyl-3-[2-(dimethylamino)ethyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-benzoyl-3-[2-(dimethylamino)ethyl]-1,3-benzoxazol-2-one
PubChem CID10662728
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name6-benzoyl-3-[2-(dimethylamino)ethyl]-1,3-benzoxazol-2-one
SMILESCN(C)CCn1c(=O)oc2cc(C(=O)c3ccccc3)ccc21
InChIInChI=1S/C18H18N2O3/c1-19(2)10-11-20-15-9-8-14(12-16(15)23-18(20)22)17(21)13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3
InChIKeyMSDCLJKAAVORFZ-UHFFFAOYSA-N
XLogP2.39
TPSA55.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Nan 190
CID 4431
2(3H)-Benzoxazolone, 6-acetyl-
CID 689054
Emd 95885
CID 177328
3-(1-Piperidinopropyl)-6-propanoyl benzoxazolin-2-one, 6
CID 10313682
6-acetyl-3-(4-(4-(4-fluorophenyl)piperazin-1-yl)butyl)benzo(d)oxazol-2(3H)-one
CID 24763643
PF-8380
CID 25265312
2(3H)-Benzoxazolone, 6-benzoyl-3-methyl-
CID 657655
2(3H)-Benzoxazolone, 6-(phenylacetyl)-
CID 391454
6-Benzoyl-2(3H)-benzoxazolone
CID 41225
6-(1-Oxopropyl)-2(3H)-benzoxazolone
CID 3042947
3-Benzoyl-3H-benzooxazol-2-one
CID 689063
3-benzyl-6-methylbenzo[d]oxazol-2(3H)-one
CID 52950186

Frequently Asked Questions

What is the IUPAC name of 6-benzoyl-3-[2-(dimethylamino)ethyl]-1,3-benzoxazol-2-one?
The IUPAC name of 6-benzoyl-3-[2-(dimethylamino)ethyl]-1,3-benzoxazol-2-one (CID 10662728) is 6-benzoyl-3-[2-(dimethylamino)ethyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-benzoyl-3-[2-(dimethylamino)ethyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 6-benzoyl-3-[2-(dimethylamino)ethyl]-1,3-benzoxazol-2-one is CN(C)CCn1c(=O)oc2cc(C(=O)c3ccccc3)ccc21.
What is the InChIKey of 6-benzoyl-3-[2-(dimethylamino)ethyl]-1,3-benzoxazol-2-one?
The InChIKey is MSDCLJKAAVORFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-19(2)10-11-20-15-9-8-14(12-16(15)23-18(20)22)17(21)13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3.
What are the key properties of 6-benzoyl-3-[2-(dimethylamino)ethyl]-1,3-benzoxazol-2-one?
6-benzoyl-3-[2-(dimethylamino)ethyl]-1,3-benzoxazol-2-one has a molecular weight of 310.35 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzoyl-3-[2-(dimethylamino)ethyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 10662728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).