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

C16H28N4O4 — CID 22957198

IUPACN-[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
SMILESCCC(NC(=O)C(C)(C)N)C(=O)N1CCC2OC(=O)N(C)C2(C)C1
InChIInChI=1S/C16H28N4O4/c1-6-10(18-13(22)15(2,3)17)12(21)20-8-7-11-16(4,9-20)19(5)14(23)24-11/h10-11H,6-9,17H2,1-5H3,(H,18,22)
InChIKeyLASKVCDGFHNZAJ-UHFFFAOYSA-N
MW340.42 g/mol
LogP0.06
Rot. Bonds4

About 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

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 (PubChem CID 22957198) has the molecular formula C16H28N4O4 and a molecular weight of 340.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID22957198
Molecular FormulaC16H28N4O4
Molecular Weight340.42 g/mol
Exact Mass340.21
IUPAC NameN-[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
SMILESCCC(NC(=O)C(C)(C)N)C(=O)N1CCC2OC(=O)N(C)C2(C)C1
InChIInChI=1S/C16H28N4O4/c1-6-10(18-13(22)15(2,3)17)12(21)20-8-7-11-16(4,9-20)19(5)14(23)24-11/h10-11H,6-9,17H2,1-5H3,(H,18,22)
InChIKeyLASKVCDGFHNZAJ-UHFFFAOYSA-N
XLogP0.06
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

Cyclo-(d-8-acetoxyl-Pro-l-Leu)
CID 170988754
Nigrosporaamide B
CID 170990517
3,3a-dimethyl-5,6,7,7a-tetrahydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-one
CID 18685051
N-[(3-methyl-2-oxo-5,6,7,7a-tetrahydro-4H-[1,3]oxazolo[4,5-c]pyridin-3a-yl)methyl]acetamide
CID 59894326
N-[(2R)-1-(8a-methyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-1-oxobutan-2-yl]piperidine-4-carboxamide
CID 59959651
N-[(2R)-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 59959652
N-[(2R)-1-(8a-methyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-1-oxobutan-2-yl]-2-amino-2-methylpropanamide
CID 59959654
tert-butyl 6,6-dimethyl-2-oxo-3a,4,7,7a-tetrahydro-3H-[1,3]oxazolo[4,5-c]pyridine-5-carboxylate
CID 178982210
N-[1-(8a-methyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-1-oxobutan-2-yl]-2-amino-2-methylpropanamide
CID 22957196
N-[1-(8a-methyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-1-oxobutan-2-yl]piperidine-4-carboxamide
CID 22957226
3-{2-[(2-methoxyethyl)(methyl)amino]ethyl}-8-(N-methyl-L-alanyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70729398
N-[1-({3-[2-(dimethylamino)ethyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]dec-8-yl}carbonyl)butyl]acetamide
CID 70749603

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC(NC(=O)C(C)(C)N)C(=O)N1CCC2OC(=O)N(C)C2(C)C1.
What is the InChIKey of 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?
The InChIKey is LASKVCDGFHNZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O4/c1-6-10(18-13(22)15(2,3)17)12(21)20-8-7-11-16(4,9-20)19(5)14(23)24-11/h10-11H,6-9,17H2,1-5H3,(H,18,22).
What are the key properties of 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?
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 has a molecular weight of 340.42 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 22957198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).