N-[(2S)-4-methyl-1-oxo-1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)pentan-2-yl]acetamide

C17H27N3O3 — CID 170507602

IUPACN-[(2S)-4-methyl-1-oxo-1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)pentan-2-yl]acetamide
SMILESCC(=O)N[C@@H](CC(C)C)C(=O)N1CCc2oc(C(C)C)nc2C1
InChIInChI=1S/C17H27N3O3/c1-10(2)8-13(18-12(5)21)17(22)20-7-6-15-14(9-20)19-16(23-15)11(3)4/h10-11,13H,6-9H2,1-5H3,(H,18,21)/t13-/m0/s1
InChIKeyHVMQDFURMNLXRF-ZDUSSCGKSA-N
MW321.42 g/mol
LogP2.23
Rot. Bonds5

About N-[(2S)-4-methyl-1-oxo-1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)pentan-2-yl]acetamide

N-[(2S)-4-methyl-1-oxo-1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)pentan-2-yl]acetamide (PubChem CID 170507602) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[(2S)-4-methyl-1-oxo-1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)pentan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-4-methyl-1-oxo-1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)pentan-2-yl]acetamide
PubChem CID170507602
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC NameN-[(2S)-4-methyl-1-oxo-1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)pentan-2-yl]acetamide
SMILESCC(=O)N[C@@H](CC(C)C)C(=O)N1CCc2oc(C(C)C)nc2C1
InChIInChI=1S/C17H27N3O3/c1-10(2)8-13(18-12(5)21)17(22)20-7-6-15-14(9-20)19-16(23-15)11(3)4/h10-11,13H,6-9H2,1-5H3,(H,18,21)/t13-/m0/s1
InChIKeyHVMQDFURMNLXRF-ZDUSSCGKSA-N
XLogP2.23
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-4-methyl-1-oxo-1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)pentan-2-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-methyl-1-oxo-1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)pentan-2-yl]acetamide?
The IUPAC name of N-[(2S)-4-methyl-1-oxo-1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)pentan-2-yl]acetamide (CID 170507602) is N-[(2S)-4-methyl-1-oxo-1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)pentan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-4-methyl-1-oxo-1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)pentan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-4-methyl-1-oxo-1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)pentan-2-yl]acetamide is CC(=O)N[C@@H](CC(C)C)C(=O)N1CCc2oc(C(C)C)nc2C1.
What is the InChIKey of N-[(2S)-4-methyl-1-oxo-1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)pentan-2-yl]acetamide?
The InChIKey is HVMQDFURMNLXRF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-10(2)8-13(18-12(5)21)17(22)20-7-6-15-14(9-20)19-16(23-15)11(3)4/h10-11,13H,6-9H2,1-5H3,(H,18,21)/t13-/m0/s1.
What are the key properties of N-[(2S)-4-methyl-1-oxo-1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)pentan-2-yl]acetamide?
N-[(2S)-4-methyl-1-oxo-1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)pentan-2-yl]acetamide has a molecular weight of 321.42 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-methyl-1-oxo-1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)pentan-2-yl]acetamide is sourced from PubChem (CID 170507602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).