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

C10H9NO3 — CID 117282170

IUPAC4-(1-hydroxycyclopropyl)-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2c(C3(O)CC3)cccc2o1
InChIInChI=1S/C10H9NO3/c12-9-11-8-6(10(13)4-5-10)2-1-3-7(8)14-9/h1-3,13H,4-5H2,(H,11,12)
InChIKeyUXBCNFCIHJFMTK-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.10
Rot. Bonds1

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

4-(1-hydroxycyclopropyl)-3H-1,3-benzoxazol-2-one (PubChem CID 117282170) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 4-(1-hydroxycyclopropyl)-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name4-(1-hydroxycyclopropyl)-3H-1,3-benzoxazol-2-one
PubChem CID117282170
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name4-(1-hydroxycyclopropyl)-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2c(C3(O)CC3)cccc2o1
InChIInChI=1S/C10H9NO3/c12-9-11-8-6(10(13)4-5-10)2-1-3-7(8)14-9/h1-3,13H,4-5H2,(H,11,12)
InChIKeyUXBCNFCIHJFMTK-UHFFFAOYSA-N
XLogP1.10
TPSA66.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(aminomethyl)cyclopropyl]-3H-1,3-benzoxazol-2-one
CID 117292427
2-[1-(2-oxo-3H-1,3-benzoxazol-4-yl)cyclopropyl]acetic acid
CID 117337514
4-sulfanyl-3H-1,3-benzoxazol-2-one
CID 89427978
4-(1-hydroxycyclopropyl)-1,3-benzoxathiol-2-one
CID 117297345
4-[(hydroxyamino)methyl]-3H-1,3-benzoxazol-2-one
CID 117278228
4-(3-hydroxypropyl)-3H-1,3-benzoxazol-2-one
CID 19086896
4-(2-amino-1-hydroxyethyl)-3H-1,3-benzoxazol-2-one
CID 117284329
(E)-3-(2-oxo-3H-1,3-benzoxazol-4-yl)prop-2-enoic acid
CID 134613261
1-(1-benzofuran-4-yl)cyclopropan-1-ol
CID 117277093
5-(1-hydroxycyclopropyl)-3,4-dihydro-1H-quinolin-2-one
CID 117291601
9-amino-1H-benzo[e][1,3]benzoxazol-2-one
CID 57163944
4-fluoro-5-methyl-3H-1,3-benzoxazol-2-one
CID 15675947

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxycyclopropyl)-3H-1,3-benzoxazol-2-one?
The IUPAC name of 4-(1-hydroxycyclopropyl)-3H-1,3-benzoxazol-2-one (CID 117282170) is 4-(1-hydroxycyclopropyl)-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 4-(1-hydroxycyclopropyl)-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 4-(1-hydroxycyclopropyl)-3H-1,3-benzoxazol-2-one is O=c1[nH]c2c(C3(O)CC3)cccc2o1.
What is the InChIKey of 4-(1-hydroxycyclopropyl)-3H-1,3-benzoxazol-2-one?
The InChIKey is UXBCNFCIHJFMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c12-9-11-8-6(10(13)4-5-10)2-1-3-7(8)14-9/h1-3,13H,4-5H2,(H,11,12).
What are the key properties of 4-(1-hydroxycyclopropyl)-3H-1,3-benzoxazol-2-one?
4-(1-hydroxycyclopropyl)-3H-1,3-benzoxazol-2-one has a molecular weight of 191.19 g/mol, XLogP of 1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxycyclopropyl)-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 117282170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).