N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(tetrazol-1-yl)butanamide

C13H21N5O3 — CID 133265667

IUPACN-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(tetrazol-1-yl)butanamide
SMILESCOC[C@H]1[C@@H](NC(=O)CCCn2cnnn2)[C@H]2CCO[C@H]21
InChIInChI=1S/C13H21N5O3/c1-20-7-10-12(9-4-6-21-13(9)10)15-11(19)3-2-5-18-8-14-16-17-18/h8-10,12-13H,2-7H2,1H3,(H,15,19)/t9-,10+,12+,13-/m1/s1
InChIKeyCHBSVJAXKMLSFI-RSLMWUCJSA-N
MW295.34 g/mol
LogP-0.38
Rot. Bonds7

About N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(tetrazol-1-yl)butanamide

N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(tetrazol-1-yl)butanamide (PubChem CID 133265667) has the molecular formula C13H21N5O3 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(tetrazol-1-yl)butanamide.

Molecular Properties

Compound NameN-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(tetrazol-1-yl)butanamide
PubChem CID133265667
Molecular FormulaC13H21N5O3
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC NameN-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(tetrazol-1-yl)butanamide
SMILESCOC[C@H]1[C@@H](NC(=O)CCCn2cnnn2)[C@H]2CCO[C@H]21
InChIInChI=1S/C13H21N5O3/c1-20-7-10-12(9-4-6-21-13(9)10)15-11(19)3-2-5-18-8-14-16-17-18/h8-10,12-13H,2-7H2,1H3,(H,15,19)/t9-,10+,12+,13-/m1/s1
InChIKeyCHBSVJAXKMLSFI-RSLMWUCJSA-N
XLogP-0.38
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 133266739
N-[(1S,5S,6S,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(tetrazol-1-yl)benzamide
CID 91784581
2-(5-aminotetrazol-1-yl)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 91798102
2-(3,4-dichlorophenyl)-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 133264692
2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[(1S,5S,6S,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 91792169
N-[(1R,5R,6R,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 133267421
N-[(1S,5S,6S,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-thiophen-3-ylpropanamide
CID 91784616
3-(benzenesulfonyl)-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide
CID 133265760
N-[(1R,5R,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 133268868
3-(3,4-difluorophenyl)-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide
CID 133266659
N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3,3-diphenylpropanamide
CID 91784343
N-[(1S,5S,6S,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide
CID 91772319

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(tetrazol-1-yl)butanamide?
The IUPAC name of N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(tetrazol-1-yl)butanamide (CID 133265667) is N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(tetrazol-1-yl)butanamide.
What is the SMILES notation for N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(tetrazol-1-yl)butanamide?
The canonical SMILES for N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(tetrazol-1-yl)butanamide is COC[C@H]1[C@@H](NC(=O)CCCn2cnnn2)[C@H]2CCO[C@H]21.
What is the InChIKey of N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(tetrazol-1-yl)butanamide?
The InChIKey is CHBSVJAXKMLSFI-RSLMWUCJSA-N. The full InChI is InChI=1S/C13H21N5O3/c1-20-7-10-12(9-4-6-21-13(9)10)15-11(19)3-2-5-18-8-14-16-17-18/h8-10,12-13H,2-7H2,1H3,(H,15,19)/t9-,10+,12+,13-/m1/s1.
What are the key properties of N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(tetrazol-1-yl)butanamide?
N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(tetrazol-1-yl)butanamide has a molecular weight of 295.34 g/mol, XLogP of -0.38, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(tetrazol-1-yl)butanamide is sourced from PubChem (CID 133265667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).