(1R,5S)-1-amino-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide

C13H20N4O2 — CID 138016497

IUPAC(1R,5S)-1-amino-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
SMILESCc1cc(CCNC(=O)N2C[C@@H]3CC[C@]3(N)C2)on1
InChIInChI=1S/C13H20N4O2/c1-9-6-11(19-16-9)3-5-15-12(18)17-7-10-2-4-13(10,14)8-17/h6,10H,2-5,7-8,14H2,1H3,(H,15,18)/t10-,13-/m0/s1
InChIKeyFOOCBBHGAJRUGR-GWCFXTLKSA-N
MW264.33 g/mol
LogP0.66
Rot. Bonds3

About (1R,5S)-1-amino-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide

(1R,5S)-1-amino-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide (PubChem CID 138016497) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is (1R,5S)-1-amino-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide.

Molecular Properties

Compound Name(1R,5S)-1-amino-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
PubChem CID138016497
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name(1R,5S)-1-amino-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
SMILESCc1cc(CCNC(=O)N2C[C@@H]3CC[C@]3(N)C2)on1
InChIInChI=1S/C13H20N4O2/c1-9-6-11(19-16-9)3-5-15-12(18)17-7-10-2-4-13(10,14)8-17/h6,10H,2-5,7-8,14H2,1H3,(H,15,18)/t10-,13-/m0/s1
InChIKeyFOOCBBHGAJRUGR-GWCFXTLKSA-N
XLogP0.66
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,5S)-1-amino-N-[2-(3-methylpyrazin-2-yl)ethyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
CID 138016510
(1R,5S)-1-amino-N-[(2,6-dimethyl-4-pyridinyl)methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
CID 138016526
5-methyl-1-[2-(3-methyl-1,2-oxazol-5-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122123826
1-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]piperidine-3-carboxamide
CID 90537576
(2S)-3,3-dimethyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-pyridin-4-ylazetidine-1-carboxamide
CID 129353061
N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]adamantane-1-carboxamide
CID 71789691
2-ethyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]butanamide
CID 90537585
N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide
CID 90537602
4-[2-(3-methyl-1,2-oxazol-5-yl)ethylamino]-4-oxobutanoic acid
CID 175958266
4-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide
CID 90537604
4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-propylpiperazine-1-carboxamide
CID 47125438
(1R,5S)-1-amino-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
CID 138016546

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-1-amino-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide?
The IUPAC name of (1R,5S)-1-amino-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide (CID 138016497) is (1R,5S)-1-amino-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide.
What is the SMILES notation for (1R,5S)-1-amino-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide?
The canonical SMILES for (1R,5S)-1-amino-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide is Cc1cc(CCNC(=O)N2C[C@@H]3CC[C@]3(N)C2)on1.
What is the InChIKey of (1R,5S)-1-amino-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide?
The InChIKey is FOOCBBHGAJRUGR-GWCFXTLKSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9-6-11(19-16-9)3-5-15-12(18)17-7-10-2-4-13(10,14)8-17/h6,10H,2-5,7-8,14H2,1H3,(H,15,18)/t10-,13-/m0/s1.
What are the key properties of (1R,5S)-1-amino-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide?
(1R,5S)-1-amino-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-1-amino-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide is sourced from PubChem (CID 138016497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).