N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanamide

C19H24N2O4 — CID 91761600

IUPACN-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCC[C@@H]1[C@@H](NC(=O)CCn2c(=O)oc3ccc(C)cc32)[C@@H]2CCO[C@H]12
InChIInChI=1S/C19H24N2O4/c1-3-12-17(13-7-9-24-18(12)13)20-16(22)6-8-21-14-10-11(2)4-5-15(14)25-19(21)23/h4-5,10,12-13,17-18H,3,6-9H2,1-2H3,(H,20,22)/t12-,13+,17-,18-/m1/s1
InChIKeyXPMRSKQVGHCTHK-JGTCGTHISA-N
MW344.41 g/mol
LogP2.22
Rot. Bonds5

About N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanamide

N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanamide (PubChem CID 91761600) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanamide
PubChem CID91761600
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC NameN-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCC[C@@H]1[C@@H](NC(=O)CCn2c(=O)oc3ccc(C)cc32)[C@@H]2CCO[C@H]12
InChIInChI=1S/C19H24N2O4/c1-3-12-17(13-7-9-24-18(12)13)20-16(22)6-8-21-14-10-11(2)4-5-15(14)25-19(21)23/h4-5,10,12-13,17-18H,3,6-9H2,1-2H3,(H,20,22)/t12-,13+,17-,18-/m1/s1
InChIKeyXPMRSKQVGHCTHK-JGTCGTHISA-N
XLogP2.22
TPSA73.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanamide with MolForge

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Related Compounds

N-[(1R,5S,6S,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-methyl-1-benzofuran-5-carboxamide
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3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]propanamide
CID 131915591
N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 72920517
5-chloro-N-[(1R,5S,6S,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]furan-2-carboxamide
CID 91776367
3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]propanamide
CID 135099312
N-[(1S,2S)-2-methylcyclohexyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 7023942
N,1-dimethyl-4-[3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperazine-2-carboxamide
CID 110085995
2-[(2-chlorophenyl)methylsulfanyl]-N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 91761779
(2R)-1-methyl-4-[3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperazine-2-carboxamide
CID 125023614
2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetate
CID 2145483
1-acetyl-N-methyl-4-[3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperazine-2-carboxamide
CID 110085996
N-(2-aminoethyl)-3-(6-methyl-2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 82344653

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanamide?
The IUPAC name of N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanamide (CID 91761600) is N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanamide.
What is the SMILES notation for N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanamide?
The canonical SMILES for N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanamide is CC[C@@H]1[C@@H](NC(=O)CCn2c(=O)oc3ccc(C)cc32)[C@@H]2CCO[C@H]12.
What is the InChIKey of N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanamide?
The InChIKey is XPMRSKQVGHCTHK-JGTCGTHISA-N. The full InChI is InChI=1S/C19H24N2O4/c1-3-12-17(13-7-9-24-18(12)13)20-16(22)6-8-21-14-10-11(2)4-5-15(14)25-19(21)23/h4-5,10,12-13,17-18H,3,6-9H2,1-2H3,(H,20,22)/t12-,13+,17-,18-/m1/s1.
What are the key properties of N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanamide?
N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 344.41 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 91761600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).