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

C10H11NO3 — CID 19086896

IUPAC4-(3-hydroxypropyl)-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2c(CCCO)cccc2o1
InChIInChI=1S/C10H11NO3/c12-6-2-4-7-3-1-5-8-9(7)11-10(13)14-8/h1,3,5,12H,2,4,6H2,(H,11,13)
InChIKeyPHPQERCNALFZFF-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.05
Rot. Bonds3

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

4-(3-hydroxypropyl)-3H-1,3-benzoxazol-2-one (PubChem CID 19086896) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 4-(3-hydroxypropyl)-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name4-(3-hydroxypropyl)-3H-1,3-benzoxazol-2-one
PubChem CID19086896
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name4-(3-hydroxypropyl)-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2c(CCCO)cccc2o1
InChIInChI=1S/C10H11NO3/c12-6-2-4-7-3-1-5-8-9(7)11-10(13)14-8/h1,3,5,12H,2,4,6H2,(H,11,13)
InChIKeyPHPQERCNALFZFF-UHFFFAOYSA-N
XLogP1.05
TPSA66.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.05
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
molecular hydrogen;4-propyl-3H-1,3-benzoxazol-2-one
CID 145188279
4-[(hydroxyamino)methyl]-3H-1,3-benzoxazol-2-one
CID 117278228
4-(2-hydroxypropyl)-3H-1,3-benzoxazol-2-one
CID 117283463
4-sulfanyl-3H-1,3-benzoxazol-2-one
CID 89427978
4-(2-amino-1-hydroxyethyl)-3H-1,3-benzoxazol-2-one
CID 117284329
4-(1-hydroxycyclopropyl)-3H-1,3-benzoxazol-2-one
CID 117282170
3-(2-methyl-1,3-benzoxazol-4-yl)propan-1-ol
CID 117282271
3-(1,3-benzoxazol-4-yl)propan-1-ol
CID 117277496
4-(3-hydroxypropyl)isoindole-1,3-dione
CID 18673592
4-[1-(aminomethyl)cyclopropyl]-3H-1,3-benzoxazol-2-one
CID 117292427
hypochlorous acid;4-[4-[(2-oxo-3H-1,3-benzoxazol-4-yl)methyl]piperazin-1-yl]benzenesulfonamide
CID 158976268

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxypropyl)-3H-1,3-benzoxazol-2-one?
The IUPAC name of 4-(3-hydroxypropyl)-3H-1,3-benzoxazol-2-one (CID 19086896) is 4-(3-hydroxypropyl)-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 4-(3-hydroxypropyl)-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 4-(3-hydroxypropyl)-3H-1,3-benzoxazol-2-one is O=c1[nH]c2c(CCCO)cccc2o1.
What is the InChIKey of 4-(3-hydroxypropyl)-3H-1,3-benzoxazol-2-one?
The InChIKey is PHPQERCNALFZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c12-6-2-4-7-3-1-5-8-9(7)11-10(13)14-8/h1,3,5,12H,2,4,6H2,(H,11,13).
What are the key properties of 4-(3-hydroxypropyl)-3H-1,3-benzoxazol-2-one?
4-(3-hydroxypropyl)-3H-1,3-benzoxazol-2-one has a molecular weight of 193.20 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxypropyl)-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 19086896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).