(2R)-2-(2,4-dimethyl-6-nitrophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C15H17N3O5 — CID 41037031

IUPAC(2R)-2-(2,4-dimethyl-6-nitrophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(C)c(O[C@H](C)C(=O)Nc2cc(C)on2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H17N3O5/c1-8-5-9(2)14(12(6-8)18(20)21)22-11(4)15(19)16-13-7-10(3)23-17-13/h5-7,11H,1-4H3,(H,16,17,19)/t11-/m1/s1
InChIKeyRRPKNMUQAAKDON-LLVKDONJSA-N
MW319.32 g/mol
LogP2.91
Rot. Bonds5

About (2R)-2-(2,4-dimethyl-6-nitrophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide

(2R)-2-(2,4-dimethyl-6-nitrophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 41037031) has the molecular formula C15H17N3O5 and a molecular weight of 319.32 g/mol. Its IUPAC name is (2R)-2-(2,4-dimethyl-6-nitrophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(2,4-dimethyl-6-nitrophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID41037031
Molecular FormulaC15H17N3O5
Molecular Weight319.32 g/mol
Exact Mass319.12
IUPAC Name(2R)-2-(2,4-dimethyl-6-nitrophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(C)c(O[C@H](C)C(=O)Nc2cc(C)on2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H17N3O5/c1-8-5-9(2)14(12(6-8)18(20)21)22-11(4)15(19)16-13-7-10(3)23-17-13/h5-7,11H,1-4H3,(H,16,17,19)/t11-/m1/s1
InChIKeyRRPKNMUQAAKDON-LLVKDONJSA-N
XLogP2.91
TPSA107.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-(2,4-dimethyl-6-nitrophenoxy)propanehydrazide
CID 63570531
(2S)-2-(4-methoxy-2-nitrophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 41176243
2-(2,4-dimethyl-6-nitrophenoxy)pentan-3-one
CID 64866319
[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3,5-dimethylbenzoate
CID 41013626
2-(2-chloro-5-methylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 4512597
(2S)-2-(2-chloro-5-methylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 40647462
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3-nitrobenzoate
CID 17483961
(2S)-2-(4-ethylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 40636839
2-(4-bromo-2-methyl-6-nitrophenoxy)propanehydrazide
CID 79844395
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] (E)-3-(4-chloro-3-nitrophenyl)prop-2-enoate
CID 46630226
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 4-(cyclopropylamino)-3-nitrobenzoate
CID 55422457
(2S)-2-(7-methoxynaphthalen-2-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 8949491

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,4-dimethyl-6-nitrophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of (2R)-2-(2,4-dimethyl-6-nitrophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 41037031) is (2R)-2-(2,4-dimethyl-6-nitrophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for (2R)-2-(2,4-dimethyl-6-nitrophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for (2R)-2-(2,4-dimethyl-6-nitrophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(C)c(O[C@H](C)C(=O)Nc2cc(C)on2)c([N+](=O)[O-])c1.
What is the InChIKey of (2R)-2-(2,4-dimethyl-6-nitrophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is RRPKNMUQAAKDON-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17N3O5/c1-8-5-9(2)14(12(6-8)18(20)21)22-11(4)15(19)16-13-7-10(3)23-17-13/h5-7,11H,1-4H3,(H,16,17,19)/t11-/m1/s1.
What are the key properties of (2R)-2-(2,4-dimethyl-6-nitrophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
(2R)-2-(2,4-dimethyl-6-nitrophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 319.32 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,4-dimethyl-6-nitrophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 41037031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).