5-[(1-hydroxycyclopropyl)methyl]-3H-1,3-benzoxazol-2-one

C11H11NO3 — CID 117293232

IUPAC5-[(1-hydroxycyclopropyl)methyl]-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2cc(CC3(O)CC3)ccc2o1
InChIInChI=1S/C11H11NO3/c13-10-12-8-5-7(1-2-9(8)15-10)6-11(14)3-4-11/h1-2,5,14H,3-4,6H2,(H,12,13)
InChIKeyCCKZMUIOJVSMHN-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.19
Rot. Bonds2

About 5-[(1-hydroxycyclopropyl)methyl]-3H-1,3-benzoxazol-2-one

5-[(1-hydroxycyclopropyl)methyl]-3H-1,3-benzoxazol-2-one (PubChem CID 117293232) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 5-[(1-hydroxycyclopropyl)methyl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-[(1-hydroxycyclopropyl)methyl]-3H-1,3-benzoxazol-2-one
PubChem CID117293232
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name5-[(1-hydroxycyclopropyl)methyl]-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2cc(CC3(O)CC3)ccc2o1
InChIInChI=1S/C11H11NO3/c13-10-12-8-5-7(1-2-9(8)15-10)6-11(14)3-4-11/h1-2,5,14H,3-4,6H2,(H,12,13)
InChIKeyCCKZMUIOJVSMHN-UHFFFAOYSA-N
XLogP1.19
TPSA66.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]cyclopropane-1-carboxamide
CID 115182711
1-[[(2-oxo-3H-1,3-benzoxazol-5-yl)methylamino]methyl]cyclopropane-1-carboxylic acid
CID 115242954
5-(hydrazinylmethyl)-3H-1,3-benzoxazol-2-one
CID 116932358
5-[2-[[1-(hydroxymethyl)cyclopropyl]methylamino]ethyl]-3H-1,3-benzoxazol-2-one
CID 115243683
ethane;5-(2-methylpropyl)-3H-1,3-benzoxazol-2-one
CID 143679953
5-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-3H-1,3-benzoxazol-2-one
CID 115133414
5-[(sulfanylmethylamino)methyl]-3H-1,3-benzoxazol-2-one
CID 115227979
N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]cyclopropanecarboxamide
CID 110786705
2-amino-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanoic acid;hydrochloride
CID 70618768
5-[2-oxo-2-(4-propanoylpiperazin-1-yl)ethyl]-3H-1,3-benzoxazol-2-one
CID 110799951
1-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-3-phenylurea
CID 110775568
N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]cyclopropanecarboxamide
CID 110665279

Frequently Asked Questions

What is the IUPAC name of 5-[(1-hydroxycyclopropyl)methyl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-[(1-hydroxycyclopropyl)methyl]-3H-1,3-benzoxazol-2-one (CID 117293232) is 5-[(1-hydroxycyclopropyl)methyl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-[(1-hydroxycyclopropyl)methyl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-[(1-hydroxycyclopropyl)methyl]-3H-1,3-benzoxazol-2-one is O=c1[nH]c2cc(CC3(O)CC3)ccc2o1.
What is the InChIKey of 5-[(1-hydroxycyclopropyl)methyl]-3H-1,3-benzoxazol-2-one?
The InChIKey is CCKZMUIOJVSMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c13-10-12-8-5-7(1-2-9(8)15-10)6-11(14)3-4-11/h1-2,5,14H,3-4,6H2,(H,12,13).
What are the key properties of 5-[(1-hydroxycyclopropyl)methyl]-3H-1,3-benzoxazol-2-one?
5-[(1-hydroxycyclopropyl)methyl]-3H-1,3-benzoxazol-2-one has a molecular weight of 205.21 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-hydroxycyclopropyl)methyl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 117293232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).