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

C17H20N2O3 — CID 24620743

IUPACN-(dicyclopropylmethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESO=C(CCn1c(=O)oc2ccccc21)NC(C1CC1)C1CC1
InChIInChI=1S/C17H20N2O3/c20-15(18-16(11-5-6-11)12-7-8-12)9-10-19-13-3-1-2-4-14(13)22-17(19)21/h1-4,11-12,16H,5-10H2,(H,18,20)
InChIKeyXHVZYRKGUIRXSE-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.29
Rot. Bonds6

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

N-(dicyclopropylmethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (PubChem CID 24620743) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
PubChem CID24620743
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-(dicyclopropylmethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESO=C(CCn1c(=O)oc2ccccc21)NC(C1CC1)C1CC1
InChIInChI=1S/C17H20N2O3/c20-15(18-16(11-5-6-11)12-7-8-12)9-10-19-13-3-1-2-4-14(13)22-17(19)21/h1-4,11-12,16H,5-10H2,(H,18,20)
InChIKeyXHVZYRKGUIRXSE-UHFFFAOYSA-N
XLogP2.29
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-1-phenylpropyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 51213975
(2R)-N-ethyl-2-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]propanamide
CID 8756933
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 7105736
3-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-3-ylmethyl)propanamide
CID 53499763
3-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 3830051
N-heptan-2-yl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 51197900
N-tert-butyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 51197823
N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 16563622
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]propanamide
CID 27990293
N-[(1S,2S)-2-methylcyclohexyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 7023942
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[phenyl(thiophen-2-yl)methyl]propanamide
CID 24682652
3-(2-oxo-1,3-benzoxazol-3-yl)-N-(1-phenyl-2-piperidin-1-ylethyl)propanamide
CID 110244360

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The IUPAC name of N-(dicyclopropylmethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (CID 24620743) is N-(dicyclopropylmethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.
What is the SMILES notation for N-(dicyclopropylmethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The canonical SMILES for N-(dicyclopropylmethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is O=C(CCn1c(=O)oc2ccccc21)NC(C1CC1)C1CC1.
What is the InChIKey of N-(dicyclopropylmethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The InChIKey is XHVZYRKGUIRXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c20-15(18-16(11-5-6-11)12-7-8-12)9-10-19-13-3-1-2-4-14(13)22-17(19)21/h1-4,11-12,16H,5-10H2,(H,18,20).
What are the key properties of N-(dicyclopropylmethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
N-(dicyclopropylmethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 300.36 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 24620743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).