3-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-3-ylmethyl)propanamide

C15H18N2O4 — CID 53499763

IUPAC3-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-3-ylmethyl)propanamide
SMILESO=C(CCn1c(=O)oc2ccccc21)NCC1CCOC1
InChIInChI=1S/C15H18N2O4/c18-14(16-9-11-6-8-20-10-11)5-7-17-12-3-1-2-4-13(12)21-15(17)19/h1-4,11H,5-10H2,(H,16,18)
InChIKeyHCSJRKPRKUWQIC-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.14
Rot. Bonds5

About 3-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-3-ylmethyl)propanamide

3-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-3-ylmethyl)propanamide (PubChem CID 53499763) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-3-ylmethyl)propanamide
PubChem CID53499763
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name3-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-3-ylmethyl)propanamide
SMILESO=C(CCn1c(=O)oc2ccccc21)NCC1CCOC1
InChIInChI=1S/C15H18N2O4/c18-14(16-9-11-6-8-20-10-11)5-7-17-12-3-1-2-4-13(12)21-15(17)19/h1-4,11H,5-10H2,(H,16,18)
InChIKeyHCSJRKPRKUWQIC-UHFFFAOYSA-N
XLogP1.14
TPSA73.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(oxolan-3-ylmethylamino)ethyl]-1,3-benzoxazol-2-one
CID 55087543
3-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 3830051
3-(2-methyl-6-oxo-1-pyridinyl)-N-[[(3S)-oxolan-3-yl]methyl]propanamide
CID 125439672
3-(2-ethylbenzimidazol-1-yl)-N-(oxolan-3-ylmethyl)propanamide
CID 119068190
N-(dicyclopropylmethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 24620743
N-(2-aminoethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 82344583
N-(2-morpholin-4-ium-4-ylethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 3622363
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 9481617
N-[(1S,2S)-2-methylcyclohexyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 7023942
N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 111429592
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]propanamide
CID 35240007
N-(1-benzylpiperidin-4-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 32744912

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-3-ylmethyl)propanamide?
The IUPAC name of 3-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-3-ylmethyl)propanamide (CID 53499763) is 3-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-3-ylmethyl)propanamide?
The canonical SMILES for 3-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-3-ylmethyl)propanamide is O=C(CCn1c(=O)oc2ccccc21)NCC1CCOC1.
What is the InChIKey of 3-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-3-ylmethyl)propanamide?
The InChIKey is HCSJRKPRKUWQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c18-14(16-9-11-6-8-20-10-11)5-7-17-12-3-1-2-4-13(12)21-15(17)19/h1-4,11H,5-10H2,(H,16,18).
What are the key properties of 3-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-3-ylmethyl)propanamide?
3-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-3-ylmethyl)propanamide has a molecular weight of 290.32 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-3-ylmethyl)propanamide is sourced from PubChem (CID 53499763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).