N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methylimidazole-4-carboxamide

C16H23N3O2 — CID 91770801

IUPACN-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methylimidazole-4-carboxamide
SMILESCn1cnc(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3[C@@H]2C2CCCC2)c1
InChIInChI=1S/C16H23N3O2/c1-19-8-12(17-9-19)16(20)18-14-11-6-7-21-15(11)13(14)10-4-2-3-5-10/h8-11,13-15H,2-7H2,1H3,(H,18,20)/t11-,13+,14+,15-/m0/s1
InChIKeyNOJBOFJERSWCMK-MYPMTAMASA-N
MW289.38 g/mol
LogP1.74
Rot. Bonds3

About N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methylimidazole-4-carboxamide

N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methylimidazole-4-carboxamide (PubChem CID 91770801) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methylimidazole-4-carboxamide
PubChem CID91770801
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methylimidazole-4-carboxamide
SMILESCn1cnc(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3[C@@H]2C2CCCC2)c1
InChIInChI=1S/C16H23N3O2/c1-19-8-12(17-9-19)16(20)18-14-11-6-7-21-15(11)13(14)10-4-2-3-5-10/h8-11,13-15H,2-7H2,1H3,(H,18,20)/t11-,13+,14+,15-/m0/s1
InChIKeyNOJBOFJERSWCMK-MYPMTAMASA-N
XLogP1.74
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 91772237
N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methyl-6-oxopyridine-3-carboxamide
CID 133265898
N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 133260460
4-acetyl-N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]benzamide
CID 91790884
N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-pyrazole-5-carboxamide
CID 91762510
N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-5-methyl-1-propylpyrazole-4-carboxamide
CID 91793747
N-(7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3,5-difluoropyridine-2-carboxamide
CID 156609395
N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(2-ethylimidazol-1-yl)propanamide
CID 91770237
N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 91794793
N-(7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 156609400
N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 133267455
N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-5-ethoxyfuran-2-carboxamide
CID 133266791

Frequently Asked Questions

What is the IUPAC name of N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methylimidazole-4-carboxamide?
The IUPAC name of N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methylimidazole-4-carboxamide (CID 91770801) is N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methylimidazole-4-carboxamide.
What is the SMILES notation for N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methylimidazole-4-carboxamide?
The canonical SMILES for N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methylimidazole-4-carboxamide is Cn1cnc(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3[C@@H]2C2CCCC2)c1.
What is the InChIKey of N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methylimidazole-4-carboxamide?
The InChIKey is NOJBOFJERSWCMK-MYPMTAMASA-N. The full InChI is InChI=1S/C16H23N3O2/c1-19-8-12(17-9-19)16(20)18-14-11-6-7-21-15(11)13(14)10-4-2-3-5-10/h8-11,13-15H,2-7H2,1H3,(H,18,20)/t11-,13+,14+,15-/m0/s1.
What are the key properties of N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methylimidazole-4-carboxamide?
N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methylimidazole-4-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 91770801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).