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

C14H20N2O3 — CID 91797099

IUPACN-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCC[C@@H]1[C@@H](NC(=O)Cc2cc(C)no2)[C@@H]2CCO[C@H]12
InChIInChI=1S/C14H20N2O3/c1-3-10-13(11-4-5-18-14(10)11)15-12(17)7-9-6-8(2)16-19-9/h6,10-11,13-14H,3-5,7H2,1-2H3,(H,15,17)/t10-,11+,13-,14-/m1/s1
InChIKeyQMZXVRCQDKJGDY-ZMJPVWNMSA-N
MW264.32 g/mol
LogP1.46
Rot. Bonds4

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

N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide (PubChem CID 91797099) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
PubChem CID91797099
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCC[C@@H]1[C@@H](NC(=O)Cc2cc(C)no2)[C@@H]2CCO[C@H]12
InChIInChI=1S/C14H20N2O3/c1-3-10-13(11-4-5-18-14(10)11)15-12(17)7-9-6-8(2)16-19-9/h6,10-11,13-14H,3-5,7H2,1-2H3,(H,15,17)/t10-,11+,13-,14-/m1/s1
InChIKeyQMZXVRCQDKJGDY-ZMJPVWNMSA-N
XLogP1.46
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-[(1S,5R,6S,7S)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1,3-thiazole-5-carboxamide
CID 164638200
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
2-(3,4-dichlorophenyl)-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 133264692
2-(3-methyl-1,2-oxazol-5-yl)acetohydrazide;hydrochloride
CID 66651040
N-cyclopropyl-2-[4-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]phenyl]acetamide
CID 131897959
N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 133266460
2-(3-chloro-4-hydroxyphenyl)-N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 91760662
N-(2-ethylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 67575573
N-[5-[(1S,3R)-3-hydroxycyclopentyl]-1,3-thiazol-2-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 164880406
N-[(1S,5S,6S,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide
CID 91789747
2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1S,3S)-3-[5-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 90163309
3-(3,4-difluorophenyl)-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide
CID 133266659

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide (CID 91797099) is N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide is CC[C@@H]1[C@@H](NC(=O)Cc2cc(C)no2)[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]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
The InChIKey is QMZXVRCQDKJGDY-ZMJPVWNMSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-10-13(11-4-5-18-14(10)11)15-12(17)7-9-6-8(2)16-19-9/h6,10-11,13-14H,3-5,7H2,1-2H3,(H,15,17)/t10-,11+,13-,14-/m1/s1.
What are the key properties of N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide has a molecular weight of 264.32 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 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]-2-(3-methyl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 91797099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).