4-(2-hydroxypropyl)-3H-1,3-benzoxazol-2-one

C10H11NO3 — CID 117283463

IUPAC4-(2-hydroxypropyl)-3H-1,3-benzoxazol-2-one
SMILESCC(O)Cc1cccc2oc(=O)[nH]c12
InChIInChI=1S/C10H11NO3/c1-6(12)5-7-3-2-4-8-9(7)11-10(13)14-8/h2-4,6,12H,5H2,1H3,(H,11,13)
InChIKeyTVNVQDUICRPPDG-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.04
Rot. Bonds2

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

4-(2-hydroxypropyl)-3H-1,3-benzoxazol-2-one (PubChem CID 117283463) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 4-(2-hydroxypropyl)-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name4-(2-hydroxypropyl)-3H-1,3-benzoxazol-2-one
PubChem CID117283463
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name4-(2-hydroxypropyl)-3H-1,3-benzoxazol-2-one
SMILESCC(O)Cc1cccc2oc(=O)[nH]c12
InChIInChI=1S/C10H11NO3/c1-6(12)5-7-3-2-4-8-9(7)11-10(13)14-8/h2-4,6,12H,5H2,1H3,(H,11,13)
InChIKeyTVNVQDUICRPPDG-UHFFFAOYSA-N
XLogP1.04
TPSA66.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-hydroxyethyl)-3H-1,3-benzoxazol-2-one
CID 117277918
4-(3-hydroxypropyl)-3H-1,3-benzoxazol-2-one
CID 19086896
4-[(hydroxyamino)methyl]-3H-1,3-benzoxazol-2-one
CID 117278228
molecular hydrogen;4-propyl-3H-1,3-benzoxazol-2-one
CID 145188279
4-(2-amino-1-hydroxyethyl)-3H-1,3-benzoxazol-2-one
CID 117284329
4-sulfanyl-3H-1,3-benzoxazol-2-one
CID 89427978
4-(1-hydroxycyclopropyl)-3H-1,3-benzoxazol-2-one
CID 117282170
2-methyl-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]propanamide
CID 110792023
4-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3H-1,3-benzoxazol-2-one
CID 162212278
2-hydroxy-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]propanamide
CID 115140966
(E)-3-(2-oxo-3H-1,3-benzoxazol-4-yl)prop-2-enoic acid
CID 134613261
2-[2-(2-hydroxypropyl)phenyl]acetic acid
CID 117111520

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxypropyl)-3H-1,3-benzoxazol-2-one?
The IUPAC name of 4-(2-hydroxypropyl)-3H-1,3-benzoxazol-2-one (CID 117283463) is 4-(2-hydroxypropyl)-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 4-(2-hydroxypropyl)-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 4-(2-hydroxypropyl)-3H-1,3-benzoxazol-2-one is CC(O)Cc1cccc2oc(=O)[nH]c12.
What is the InChIKey of 4-(2-hydroxypropyl)-3H-1,3-benzoxazol-2-one?
The InChIKey is TVNVQDUICRPPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-6(12)5-7-3-2-4-8-9(7)11-10(13)14-8/h2-4,6,12H,5H2,1H3,(H,11,13).
What are the key properties of 4-(2-hydroxypropyl)-3H-1,3-benzoxazol-2-one?
4-(2-hydroxypropyl)-3H-1,3-benzoxazol-2-one has a molecular weight of 193.20 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxypropyl)-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 117283463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).