N-[(3S,4R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-3-(3-oxo-1,2-oxazol-5-yl)propanamide

C17H23N3O6 — CID 133267712

IUPACN-[(3S,4R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-3-(3-oxo-1,2-oxazol-5-yl)propanamide
SMILESCc1noc(C)c1CO[C@@H]1CCOC[C@@H]1NC(=O)CCc1cc(=O)[nH]o1
InChIInChI=1S/C17H23N3O6/c1-10-13(11(2)25-19-10)8-24-15-5-6-23-9-14(15)18-16(21)4-3-12-7-17(22)20-26-12/h7,14-15H,3-6,8-9H2,1-2H3,(H,18,21)(H,20,22)/t14-,15+/m0/s1
InChIKeyDHVZPQZLFDJJRE-LSDHHAIUSA-N
MW365.39 g/mol
LogP1.00
Rot. Bonds7

About N-[(3S,4R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-3-(3-oxo-1,2-oxazol-5-yl)propanamide

N-[(3S,4R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-3-(3-oxo-1,2-oxazol-5-yl)propanamide (PubChem CID 133267712) has the molecular formula C17H23N3O6 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-[(3S,4R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-3-(3-oxo-1,2-oxazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-3-(3-oxo-1,2-oxazol-5-yl)propanamide
PubChem CID133267712
Molecular FormulaC17H23N3O6
Molecular Weight365.39 g/mol
Exact Mass365.16
IUPAC NameN-[(3S,4R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-3-(3-oxo-1,2-oxazol-5-yl)propanamide
SMILESCc1noc(C)c1CO[C@@H]1CCOC[C@@H]1NC(=O)CCc1cc(=O)[nH]o1
InChIInChI=1S/C17H23N3O6/c1-10-13(11(2)25-19-10)8-24-15-5-6-23-9-14(15)18-16(21)4-3-12-7-17(22)20-26-12/h7,14-15H,3-6,8-9H2,1-2H3,(H,18,21)(H,20,22)/t14-,15+/m0/s1
InChIKeyDHVZPQZLFDJJRE-LSDHHAIUSA-N
XLogP1.00
TPSA119.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-3-pyridin-2-ylpropanamide
CID 91762820
N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-3-(5-methylpyrazol-1-yl)propanamide
CID 91783291
N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-2-thiophen-3-ylacetamide
CID 91798363
N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-2-(methylamino)pyrimidine-5-carboxamide
CID 91760952
N-[(3S,4S)-4-(4-cyanophenoxy)oxan-3-yl]-3-(3-oxo-1,2-oxazol-5-yl)propanamide
CID 164642550
N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-2-(4-methylphenyl)acetamide
CID 91782854
N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-5-propyl-1,2-oxazole-3-carboxamide
CID 91780446
N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-1H-pyrazole-4-carboxamide
CID 91786762
N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 91769285
N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 91765324
N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-2-oxo-1H-pyrazine-3-carboxamide
CID 91760778
N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-5-methyl-1,3-oxazole-4-carboxamide
CID 91781380

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-3-(3-oxo-1,2-oxazol-5-yl)propanamide?
The IUPAC name of N-[(3S,4R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-3-(3-oxo-1,2-oxazol-5-yl)propanamide (CID 133267712) is N-[(3S,4R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-3-(3-oxo-1,2-oxazol-5-yl)propanamide.
What is the SMILES notation for N-[(3S,4R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-3-(3-oxo-1,2-oxazol-5-yl)propanamide?
The canonical SMILES for N-[(3S,4R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-3-(3-oxo-1,2-oxazol-5-yl)propanamide is Cc1noc(C)c1CO[C@@H]1CCOC[C@@H]1NC(=O)CCc1cc(=O)[nH]o1.
What is the InChIKey of N-[(3S,4R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-3-(3-oxo-1,2-oxazol-5-yl)propanamide?
The InChIKey is DHVZPQZLFDJJRE-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H23N3O6/c1-10-13(11(2)25-19-10)8-24-15-5-6-23-9-14(15)18-16(21)4-3-12-7-17(22)20-26-12/h7,14-15H,3-6,8-9H2,1-2H3,(H,18,21)(H,20,22)/t14-,15+/m0/s1.
What are the key properties of N-[(3S,4R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-3-(3-oxo-1,2-oxazol-5-yl)propanamide?
N-[(3S,4R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-3-(3-oxo-1,2-oxazol-5-yl)propanamide has a molecular weight of 365.39 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-3-(3-oxo-1,2-oxazol-5-yl)propanamide is sourced from PubChem (CID 133267712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).