[(1R,5S)-1-(1,3-benzoxazol-2-ylamino)-3-azabicyclo[3.2.0]heptan-3-yl]-cyclopentylmethanone

C19H23N3O2 — CID 167926046

IUPAC[(1R,5S)-1-(1,3-benzoxazol-2-ylamino)-3-azabicyclo[3.2.0]heptan-3-yl]-cyclopentylmethanone
SMILESO=C(C1CCCC1)N1C[C@@H]2CC[C@]2(Nc2nc3ccccc3o2)C1
InChIInChI=1S/C19H23N3O2/c23-17(13-5-1-2-6-13)22-11-14-9-10-19(14,12-22)21-18-20-15-7-3-4-8-16(15)24-18/h3-4,7-8,13-14H,1-2,5-6,9-12H2,(H,20,21)/t14-,19-/m0/s1
InChIKeyFPDAQWBCINVSSI-LIRRHRJNSA-N
MW325.41 g/mol
LogP3.42
Rot. Bonds3

About [(1R,5S)-1-(1,3-benzoxazol-2-ylamino)-3-azabicyclo[3.2.0]heptan-3-yl]-cyclopentylmethanone

[(1R,5S)-1-(1,3-benzoxazol-2-ylamino)-3-azabicyclo[3.2.0]heptan-3-yl]-cyclopentylmethanone (PubChem CID 167926046) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is [(1R,5S)-1-(1,3-benzoxazol-2-ylamino)-3-azabicyclo[3.2.0]heptan-3-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[(1R,5S)-1-(1,3-benzoxazol-2-ylamino)-3-azabicyclo[3.2.0]heptan-3-yl]-cyclopentylmethanone
PubChem CID167926046
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name[(1R,5S)-1-(1,3-benzoxazol-2-ylamino)-3-azabicyclo[3.2.0]heptan-3-yl]-cyclopentylmethanone
SMILESO=C(C1CCCC1)N1C[C@@H]2CC[C@]2(Nc2nc3ccccc3o2)C1
InChIInChI=1S/C19H23N3O2/c23-17(13-5-1-2-6-13)22-11-14-9-10-19(14,12-22)21-18-20-15-7-3-4-8-16(15)24-18/h3-4,7-8,13-14H,1-2,5-6,9-12H2,(H,20,21)/t14-,19-/m0/s1
InChIKeyFPDAQWBCINVSSI-LIRRHRJNSA-N
XLogP3.42
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1,3-benzoxazol-2-ylmethyl)piperazin-1-yl]-cyclopentylmethanone
CID 36880399
[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 3415222
(3S)-1-[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]piperidine-3-carboxylic acid
CID 119173598
N-(1-methylcyclobutyl)-1,3-benzoxazol-2-amine
CID 115765396
[(3R)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]piperidin-3-yl]-(2,5-dihydropyrrol-1-yl)methanone
CID 95502907
[1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 45178109
[1-(1,3-benzoxazol-2-yl)pyrrolidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 165435396
(3R)-1-[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124689347
2-(1,3-benzoxazol-2-ylamino)-N-cyclohexyl-4-methylpyrimidine-5-carboxamide
CID 16584584
[1-(1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 56810173
(3S)-1-(1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
CID 51373554
[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 3692836

Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-1-(1,3-benzoxazol-2-ylamino)-3-azabicyclo[3.2.0]heptan-3-yl]-cyclopentylmethanone?
The IUPAC name of [(1R,5S)-1-(1,3-benzoxazol-2-ylamino)-3-azabicyclo[3.2.0]heptan-3-yl]-cyclopentylmethanone (CID 167926046) is [(1R,5S)-1-(1,3-benzoxazol-2-ylamino)-3-azabicyclo[3.2.0]heptan-3-yl]-cyclopentylmethanone.
What is the SMILES notation for [(1R,5S)-1-(1,3-benzoxazol-2-ylamino)-3-azabicyclo[3.2.0]heptan-3-yl]-cyclopentylmethanone?
The canonical SMILES for [(1R,5S)-1-(1,3-benzoxazol-2-ylamino)-3-azabicyclo[3.2.0]heptan-3-yl]-cyclopentylmethanone is O=C(C1CCCC1)N1C[C@@H]2CC[C@]2(Nc2nc3ccccc3o2)C1.
What is the InChIKey of [(1R,5S)-1-(1,3-benzoxazol-2-ylamino)-3-azabicyclo[3.2.0]heptan-3-yl]-cyclopentylmethanone?
The InChIKey is FPDAQWBCINVSSI-LIRRHRJNSA-N. The full InChI is InChI=1S/C19H23N3O2/c23-17(13-5-1-2-6-13)22-11-14-9-10-19(14,12-22)21-18-20-15-7-3-4-8-16(15)24-18/h3-4,7-8,13-14H,1-2,5-6,9-12H2,(H,20,21)/t14-,19-/m0/s1.
What are the key properties of [(1R,5S)-1-(1,3-benzoxazol-2-ylamino)-3-azabicyclo[3.2.0]heptan-3-yl]-cyclopentylmethanone?
[(1R,5S)-1-(1,3-benzoxazol-2-ylamino)-3-azabicyclo[3.2.0]heptan-3-yl]-cyclopentylmethanone has a molecular weight of 325.41 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-1-(1,3-benzoxazol-2-ylamino)-3-azabicyclo[3.2.0]heptan-3-yl]-cyclopentylmethanone is sourced from PubChem (CID 167926046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).