(2S)-2-(4-methoxy-2-nitrophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C14H15N3O6 — CID 41176243

IUPAC(2S)-2-(4-methoxy-2-nitrophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCOc1ccc(O[C@@H](C)C(=O)Nc2cc(C)on2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H15N3O6/c1-8-6-13(16-23-8)15-14(18)9(2)22-12-5-4-10(21-3)7-11(12)17(19)20/h4-7,9H,1-3H3,(H,15,16,18)/t9-/m0/s1
InChIKeyYZGBBGYJVIQFBW-VIFPVBQESA-N
MW321.29 g/mol
LogP2.31
Rot. Bonds6

About (2S)-2-(4-methoxy-2-nitrophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide

(2S)-2-(4-methoxy-2-nitrophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 41176243) has the molecular formula C14H15N3O6 and a molecular weight of 321.29 g/mol. Its IUPAC name is (2S)-2-(4-methoxy-2-nitrophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-methoxy-2-nitrophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID41176243
Molecular FormulaC14H15N3O6
Molecular Weight321.29 g/mol
Exact Mass321.10
IUPAC Name(2S)-2-(4-methoxy-2-nitrophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCOc1ccc(O[C@@H](C)C(=O)Nc2cc(C)on2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H15N3O6/c1-8-6-13(16-23-8)15-14(18)9(2)22-12-5-4-10(21-3)7-11(12)17(19)20/h4-7,9H,1-3H3,(H,15,16,18)/t9-/m0/s1
InChIKeyYZGBBGYJVIQFBW-VIFPVBQESA-N
XLogP2.31
TPSA116.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.29
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(4-methoxy-2-nitrophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8941065
2-(2-acetyl-5-methoxyphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51233960
(2S)-2-(7-methoxynaphthalen-2-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 8949491
(2S)-N-(3-chloro-2-methylphenyl)-2-(4-methoxy-2-nitrophenoxy)propanamide
CID 8886627
(2R)-2-(2,4-dimethyl-6-nitrophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 41037031
(2R)-2-(4-methoxy-2-nitrophenoxy)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 7473538
methyl 3-methoxy-4-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]oxybenzoate
CID 24511790
2-[[(2S)-2-(4-methoxy-2-nitrophenoxy)propanoyl]amino]thiophene-3-carboxamide
CID 8886770
N-[4-[2-(4-methoxy-2-nitrophenoxy)propanoyl]phenyl]acetamide
CID 154763377
(2R)-2-(4-chloro-2-nitrophenoxy)-N-(3-methoxyphenyl)propanamide
CID 7990797
(2R)-2-(2-chloro-4-fluorophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 40972075
(2S)-2-(2-chloro-5-methylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 40647462

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methoxy-2-nitrophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of (2S)-2-(4-methoxy-2-nitrophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 41176243) is (2S)-2-(4-methoxy-2-nitrophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for (2S)-2-(4-methoxy-2-nitrophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for (2S)-2-(4-methoxy-2-nitrophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide is COc1ccc(O[C@@H](C)C(=O)Nc2cc(C)on2)c([N+](=O)[O-])c1.
What is the InChIKey of (2S)-2-(4-methoxy-2-nitrophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is YZGBBGYJVIQFBW-VIFPVBQESA-N. The full InChI is InChI=1S/C14H15N3O6/c1-8-6-13(16-23-8)15-14(18)9(2)22-12-5-4-10(21-3)7-11(12)17(19)20/h4-7,9H,1-3H3,(H,15,16,18)/t9-/m0/s1.
What are the key properties of (2S)-2-(4-methoxy-2-nitrophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
(2S)-2-(4-methoxy-2-nitrophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 321.29 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methoxy-2-nitrophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 41176243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).