N-[(3-methyl-2-oxo-5,6,7,7a-tetrahydro-4H-[1,3]oxazolo[4,5-c]pyridin-3a-yl)methyl]acetamide

C10H17N3O3 — CID 59894326

IUPACN-[(3-methyl-2-oxo-5,6,7,7a-tetrahydro-4H-[1,3]oxazolo[4,5-c]pyridin-3a-yl)methyl]acetamide
SMILESCC(=O)NCC12CNCCC1OC(=O)N2C
InChIInChI=1S/C10H17N3O3/c1-7(14)12-6-10-5-11-4-3-8(10)16-9(15)13(10)2/h8,11H,3-6H2,1-2H3,(H,12,14)
InChIKeyNFTSNHMOWVLSMU-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.69
Rot. Bonds2

About N-[(3-methyl-2-oxo-5,6,7,7a-tetrahydro-4H-[1,3]oxazolo[4,5-c]pyridin-3a-yl)methyl]acetamide

N-[(3-methyl-2-oxo-5,6,7,7a-tetrahydro-4H-[1,3]oxazolo[4,5-c]pyridin-3a-yl)methyl]acetamide (PubChem CID 59894326) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is N-[(3-methyl-2-oxo-5,6,7,7a-tetrahydro-4H-[1,3]oxazolo[4,5-c]pyridin-3a-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(3-methyl-2-oxo-5,6,7,7a-tetrahydro-4H-[1,3]oxazolo[4,5-c]pyridin-3a-yl)methyl]acetamide
PubChem CID59894326
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC NameN-[(3-methyl-2-oxo-5,6,7,7a-tetrahydro-4H-[1,3]oxazolo[4,5-c]pyridin-3a-yl)methyl]acetamide
SMILESCC(=O)NCC12CNCCC1OC(=O)N2C
InChIInChI=1S/C10H17N3O3/c1-7(14)12-6-10-5-11-4-3-8(10)16-9(15)13(10)2/h8,11H,3-6H2,1-2H3,(H,12,14)
InChIKeyNFTSNHMOWVLSMU-UHFFFAOYSA-N
XLogP-0.69
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

rac-tert-butyl (4aR,7aS)-octahydropyrrolo[3,4-b]morpholine-6-carboxylate
CID 22875335
rac-tert-butyl (4aR,7aR)-octahydropyrrolo[3,4-b]morpholine-6-carboxylate
CID 67991858
rac-tert-butyl (4aR,7aS)-octahydropyrrolo[3,4-b][1,4]oxazine-4-carboxylate
CID 75531151
Tert-butyl octahydropyrrolo[3,4-b]morpholine-6-carboxylate
CID 19594630
3,3a,5-Trimethyl-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-2-one
CID 18685002
3a,5-dimethyl-4,6,7,7a-tetrahydro-3H-[1,3]oxazolo[4,5-c]pyridin-2-one
CID 18685017
3,3a-dimethyl-5,6,7,7a-tetrahydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-one
CID 18685051
3,5-Dimethyl-3a-[2-(methylamino)ethyl]-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-2-one
CID 18685091
3a-(Aminomethyl)-3,5-dimethyl-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-2-one
CID 18685151
N-[2-(3,5-dimethyl-2-oxo-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-3a-yl)ethyl]-N-methylacetamide
CID 18685180
N-methyl-N-[2-(3-methyl-2-oxo-5,6,7,7a-tetrahydro-4H-[1,3]oxazolo[4,5-c]pyridin-3a-yl)ethyl]acetamide
CID 18685186
N-[1-(3,3a-dimethyl-2-oxo-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-5-yl)-1-oxobutan-2-yl]-2-amino-2-methylpropanamide
CID 22957198

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-2-oxo-5,6,7,7a-tetrahydro-4H-[1,3]oxazolo[4,5-c]pyridin-3a-yl)methyl]acetamide?
The IUPAC name of N-[(3-methyl-2-oxo-5,6,7,7a-tetrahydro-4H-[1,3]oxazolo[4,5-c]pyridin-3a-yl)methyl]acetamide (CID 59894326) is N-[(3-methyl-2-oxo-5,6,7,7a-tetrahydro-4H-[1,3]oxazolo[4,5-c]pyridin-3a-yl)methyl]acetamide.
What is the SMILES notation for N-[(3-methyl-2-oxo-5,6,7,7a-tetrahydro-4H-[1,3]oxazolo[4,5-c]pyridin-3a-yl)methyl]acetamide?
The canonical SMILES for N-[(3-methyl-2-oxo-5,6,7,7a-tetrahydro-4H-[1,3]oxazolo[4,5-c]pyridin-3a-yl)methyl]acetamide is CC(=O)NCC12CNCCC1OC(=O)N2C.
What is the InChIKey of N-[(3-methyl-2-oxo-5,6,7,7a-tetrahydro-4H-[1,3]oxazolo[4,5-c]pyridin-3a-yl)methyl]acetamide?
The InChIKey is NFTSNHMOWVLSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-7(14)12-6-10-5-11-4-3-8(10)16-9(15)13(10)2/h8,11H,3-6H2,1-2H3,(H,12,14).
What are the key properties of N-[(3-methyl-2-oxo-5,6,7,7a-tetrahydro-4H-[1,3]oxazolo[4,5-c]pyridin-3a-yl)methyl]acetamide?
N-[(3-methyl-2-oxo-5,6,7,7a-tetrahydro-4H-[1,3]oxazolo[4,5-c]pyridin-3a-yl)methyl]acetamide has a molecular weight of 227.26 g/mol, XLogP of -0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-2-oxo-5,6,7,7a-tetrahydro-4H-[1,3]oxazolo[4,5-c]pyridin-3a-yl)methyl]acetamide is sourced from PubChem (CID 59894326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).