4-(2-amino-1-hydroxyethyl)-3H-1,3-benzoxazol-2-one

C9H10N2O3 — CID 117284329

IUPAC4-(2-amino-1-hydroxyethyl)-3H-1,3-benzoxazol-2-one
SMILESNCC(O)c1cccc2oc(=O)[nH]c12
InChIInChI=1S/C9H10N2O3/c10-4-6(12)5-2-1-3-7-8(5)11-9(13)14-7/h1-3,6,12H,4,10H2,(H,11,13)
InChIKeyZRCZGOPDAZXJRQ-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.11
Rot. Bonds2

About 4-(2-amino-1-hydroxyethyl)-3H-1,3-benzoxazol-2-one

4-(2-amino-1-hydroxyethyl)-3H-1,3-benzoxazol-2-one (PubChem CID 117284329) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 4-(2-amino-1-hydroxyethyl)-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name4-(2-amino-1-hydroxyethyl)-3H-1,3-benzoxazol-2-one
PubChem CID117284329
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name4-(2-amino-1-hydroxyethyl)-3H-1,3-benzoxazol-2-one
SMILESNCC(O)c1cccc2oc(=O)[nH]c12
InChIInChI=1S/C9H10N2O3/c10-4-6(12)5-2-1-3-7-8(5)11-9(13)14-7/h1-3,6,12H,4,10H2,(H,11,13)
InChIKeyZRCZGOPDAZXJRQ-UHFFFAOYSA-N
XLogP0.11
TPSA92.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-hydroxypropyl)-3H-1,3-benzoxazol-2-one
CID 117283463
4-sulfanyl-3H-1,3-benzoxazol-2-one
CID 89427978
4-(2-hydroxyethyl)-3H-1,3-benzoxazol-2-one
CID 117277918
4-[1-(aminomethyl)cyclopropyl]-3H-1,3-benzoxazol-2-one
CID 117292427
4-(3-hydroxypropyl)-3H-1,3-benzoxazol-2-one
CID 19086896
4-[(hydroxyamino)methyl]-3H-1,3-benzoxazol-2-one
CID 117278228
4-(1-hydroxycyclopropyl)-3H-1,3-benzoxazol-2-one
CID 117282170
(E)-3-(2-oxo-3H-1,3-benzoxazol-4-yl)prop-2-enoic acid
CID 134613261
2-[1-(2-oxo-3H-1,3-benzoxazol-4-yl)cyclopropyl]acetic acid
CID 117337514
9-amino-1H-benzo[e][1,3]benzoxazol-2-one
CID 57163944
2-amino-1-(2-iodophenyl)ethanol
CID 14059960
8-(2-amino-1-hydroxyethyl)-4H-1,4-benzoxazin-3-one
CID 118692879

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1-hydroxyethyl)-3H-1,3-benzoxazol-2-one?
The IUPAC name of 4-(2-amino-1-hydroxyethyl)-3H-1,3-benzoxazol-2-one (CID 117284329) is 4-(2-amino-1-hydroxyethyl)-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 4-(2-amino-1-hydroxyethyl)-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 4-(2-amino-1-hydroxyethyl)-3H-1,3-benzoxazol-2-one is NCC(O)c1cccc2oc(=O)[nH]c12.
What is the InChIKey of 4-(2-amino-1-hydroxyethyl)-3H-1,3-benzoxazol-2-one?
The InChIKey is ZRCZGOPDAZXJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c10-4-6(12)5-2-1-3-7-8(5)11-9(13)14-7/h1-3,6,12H,4,10H2,(H,11,13).
What are the key properties of 4-(2-amino-1-hydroxyethyl)-3H-1,3-benzoxazol-2-one?
4-(2-amino-1-hydroxyethyl)-3H-1,3-benzoxazol-2-one has a molecular weight of 194.19 g/mol, XLogP of 0.11, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-1-hydroxyethyl)-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 117284329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).