5-[5-(2-aminoethyl)-2-oxo-1,3-oxazolidin-3-yl]-3H-1,3-benzoxazol-2-one

C12H13N3O4 — CID 82379948

IUPAC5-[5-(2-aminoethyl)-2-oxo-1,3-oxazolidin-3-yl]-3H-1,3-benzoxazol-2-one
SMILESNCCC1CN(c2ccc3oc(=O)[nH]c3c2)C(=O)O1
InChIInChI=1S/C12H13N3O4/c13-4-3-8-6-15(12(17)18-8)7-1-2-10-9(5-7)14-11(16)19-10/h1-2,5,8H,3-4,6,13H2,(H,14,16)
InChIKeyDJFIIEFEQOOHCV-UHFFFAOYSA-N
MW263.25 g/mol
LogP0.80
Rot. Bonds3

About 5-[5-(2-aminoethyl)-2-oxo-1,3-oxazolidin-3-yl]-3H-1,3-benzoxazol-2-one

5-[5-(2-aminoethyl)-2-oxo-1,3-oxazolidin-3-yl]-3H-1,3-benzoxazol-2-one (PubChem CID 82379948) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is 5-[5-(2-aminoethyl)-2-oxo-1,3-oxazolidin-3-yl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-[5-(2-aminoethyl)-2-oxo-1,3-oxazolidin-3-yl]-3H-1,3-benzoxazol-2-one
PubChem CID82379948
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name5-[5-(2-aminoethyl)-2-oxo-1,3-oxazolidin-3-yl]-3H-1,3-benzoxazol-2-one
SMILESNCCC1CN(c2ccc3oc(=O)[nH]c3c2)C(=O)O1
InChIInChI=1S/C12H13N3O4/c13-4-3-8-6-15(12(17)18-8)7-1-2-10-9(5-7)14-11(16)19-10/h1-2,5,8H,3-4,6,13H2,(H,14,16)
InChIKeyDJFIIEFEQOOHCV-UHFFFAOYSA-N
XLogP0.80
TPSA101.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-aminoethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 82391857
5-(2-aminoethyl)-3-phenyl-1,3-oxazolidin-2-one
CID 15117126
5-(3-aminopropyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 115060000
5-oxo-1-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrrolidine-3-sulfonamide
CID 168718761
5-piperidin-1-yl-3H-1,3-benzoxazol-2-one
CID 23074043
3-(4-amino-3-fluorophenyl)-5-(aminomethyl)-1,3-oxazolidin-2-one
CID 77423554
6-[(5R)-5-(3-aminopropyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one
CID 66737212
(5R)-5-(aminomethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one
CID 42281775
5-(2-aminoethyl)-3-(2-bromophenyl)-1,3-oxazolidin-2-one
CID 115003408
(5S)-5-(aminomethyl)-3-(4-bromo-3-fluorophenyl)-1,3-oxazolidin-2-one
CID 44607680
5-amino-3H-1,3-benzoxazol-2-one
CID 26856
(5S)-5-(aminomethyl)-3-[3-fluoro-4-(piperidin-4-ylamino)phenyl]-1,3-oxazolidin-2-one
CID 141181958

Frequently Asked Questions

What is the IUPAC name of 5-[5-(2-aminoethyl)-2-oxo-1,3-oxazolidin-3-yl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-[5-(2-aminoethyl)-2-oxo-1,3-oxazolidin-3-yl]-3H-1,3-benzoxazol-2-one (CID 82379948) is 5-[5-(2-aminoethyl)-2-oxo-1,3-oxazolidin-3-yl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-[5-(2-aminoethyl)-2-oxo-1,3-oxazolidin-3-yl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-[5-(2-aminoethyl)-2-oxo-1,3-oxazolidin-3-yl]-3H-1,3-benzoxazol-2-one is NCCC1CN(c2ccc3oc(=O)[nH]c3c2)C(=O)O1.
What is the InChIKey of 5-[5-(2-aminoethyl)-2-oxo-1,3-oxazolidin-3-yl]-3H-1,3-benzoxazol-2-one?
The InChIKey is DJFIIEFEQOOHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c13-4-3-8-6-15(12(17)18-8)7-1-2-10-9(5-7)14-11(16)19-10/h1-2,5,8H,3-4,6,13H2,(H,14,16).
What are the key properties of 5-[5-(2-aminoethyl)-2-oxo-1,3-oxazolidin-3-yl]-3H-1,3-benzoxazol-2-one?
5-[5-(2-aminoethyl)-2-oxo-1,3-oxazolidin-3-yl]-3H-1,3-benzoxazol-2-one has a molecular weight of 263.25 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2-aminoethyl)-2-oxo-1,3-oxazolidin-3-yl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 82379948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).