3-[2-(oxolan-3-ylmethylamino)ethyl]-1,3-benzoxazol-2-one

C14H18N2O3 — CID 55087543

IUPAC3-[2-(oxolan-3-ylmethylamino)ethyl]-1,3-benzoxazol-2-one
SMILESO=c1oc2ccccc2n1CCNCC1CCOC1
InChIInChI=1S/C14H18N2O3/c17-14-16(12-3-1-2-4-13(12)19-14)7-6-15-9-11-5-8-18-10-11/h1-4,11,15H,5-10H2
InChIKeyRLIOHGVPIGEQEB-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.22
Rot. Bonds5

About 3-[2-(oxolan-3-ylmethylamino)ethyl]-1,3-benzoxazol-2-one

3-[2-(oxolan-3-ylmethylamino)ethyl]-1,3-benzoxazol-2-one (PubChem CID 55087543) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-[2-(oxolan-3-ylmethylamino)ethyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[2-(oxolan-3-ylmethylamino)ethyl]-1,3-benzoxazol-2-one
PubChem CID55087543
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3-[2-(oxolan-3-ylmethylamino)ethyl]-1,3-benzoxazol-2-one
SMILESO=c1oc2ccccc2n1CCNCC1CCOC1
InChIInChI=1S/C14H18N2O3/c17-14-16(12-3-1-2-4-13(12)19-14)7-6-15-9-11-5-8-18-10-11/h1-4,11,15H,5-10H2
InChIKeyRLIOHGVPIGEQEB-UHFFFAOYSA-N
XLogP1.22
TPSA56.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-3-ylmethyl)propanamide
CID 53499763
2-(3-bromo-2-methylindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 62829587
3-[2-(butylamino)ethyl]-1,3-benzoxazol-2-one
CID 60765754
3-[3-(cyclopentylamino)propyl]-1,3-benzoxazol-2-one
CID 55087544
1-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylamino]cyclobutane-1-carboxylic acid
CID 81167448
3-(2-piperidin-4-ylethyl)-1,3-benzoxazol-2-one
CID 61345343
1-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 122001108
2-(2-methyl-2,3-dihydroindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 62575568
1-methyl-3-[2-(oxolan-3-ylmethylamino)ethyl]imidazol-2-one
CID 80582524
N-cyclopropyl-2-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylamino]-2-phenylacetamide
CID 167852166
N-(dicyclopropylmethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 24620743
2-(4-methylindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 62562885

Frequently Asked Questions

What is the IUPAC name of 3-[2-(oxolan-3-ylmethylamino)ethyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[2-(oxolan-3-ylmethylamino)ethyl]-1,3-benzoxazol-2-one (CID 55087543) is 3-[2-(oxolan-3-ylmethylamino)ethyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[2-(oxolan-3-ylmethylamino)ethyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[2-(oxolan-3-ylmethylamino)ethyl]-1,3-benzoxazol-2-one is O=c1oc2ccccc2n1CCNCC1CCOC1.
What is the InChIKey of 3-[2-(oxolan-3-ylmethylamino)ethyl]-1,3-benzoxazol-2-one?
The InChIKey is RLIOHGVPIGEQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-14-16(12-3-1-2-4-13(12)19-14)7-6-15-9-11-5-8-18-10-11/h1-4,11,15H,5-10H2.
What are the key properties of 3-[2-(oxolan-3-ylmethylamino)ethyl]-1,3-benzoxazol-2-one?
3-[2-(oxolan-3-ylmethylamino)ethyl]-1,3-benzoxazol-2-one has a molecular weight of 262.31 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(oxolan-3-ylmethylamino)ethyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 55087543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).