N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

C19H18N2O5 — CID 51323878

IUPACN-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCC(NC(=O)CCn1c(=O)oc2ccccc21)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H18N2O5/c1-12(13-6-7-16-17(10-13)25-11-24-16)20-18(22)8-9-21-14-4-2-3-5-15(14)26-19(21)23/h2-7,10,12H,8-9,11H2,1H3,(H,20,22)
InChIKeyRXHXRZZXSCVYJM-UHFFFAOYSA-N
MW354.36 g/mol
LogP2.59
Rot. Bonds5

About N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (PubChem CID 51323878) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
PubChem CID51323878
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCC(NC(=O)CCn1c(=O)oc2ccccc21)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H18N2O5/c1-12(13-6-7-16-17(10-13)25-11-24-16)20-18(22)8-9-21-14-4-2-3-5-15(14)26-19(21)23/h2-7,10,12H,8-9,11H2,1H3,(H,20,22)
InChIKeyRXHXRZZXSCVYJM-UHFFFAOYSA-N
XLogP2.59
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 18190294
N-[1-(3,4-difluorophenyl)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 17413824
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 51306905
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 42888994
N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 9410020
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]propanamide
CID 27990293
N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 16563622
[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 8727357
N-(2-methyl-1-phenylpropyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 51213975
[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 46819821
N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 40809462
3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-phenylethyl]propanamide
CID 9033009

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (CID 51323878) is N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.
What is the SMILES notation for N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The canonical SMILES for N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is CC(NC(=O)CCn1c(=O)oc2ccccc21)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The InChIKey is RXHXRZZXSCVYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-12(13-6-7-16-17(10-13)25-11-24-16)20-18(22)8-9-21-14-4-2-3-5-15(14)26-19(21)23/h2-7,10,12H,8-9,11H2,1H3,(H,20,22).
What are the key properties of N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 354.36 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 51323878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).