2-(3-methyl-4-nitrophenoxy)-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide

C15H17N3O5 — CID 31880567

IUPAC2-(3-methyl-4-nitrophenoxy)-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(OCC(=O)Nc2cc(C(C)C)no2)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H17N3O5/c1-9(2)12-7-15(23-17-12)16-14(19)8-22-11-4-5-13(18(20)21)10(3)6-11/h4-7,9H,8H2,1-3H3,(H,16,19)
InChIKeyXXRQJWYTCFWXKU-UHFFFAOYSA-N
MW319.32 g/mol
LogP3.03
Rot. Bonds6

About 2-(3-methyl-4-nitrophenoxy)-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide

2-(3-methyl-4-nitrophenoxy)-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide (PubChem CID 31880567) has the molecular formula C15H17N3O5 and a molecular weight of 319.32 g/mol. Its IUPAC name is 2-(3-methyl-4-nitrophenoxy)-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(3-methyl-4-nitrophenoxy)-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
PubChem CID31880567
Molecular FormulaC15H17N3O5
Molecular Weight319.32 g/mol
Exact Mass319.12
IUPAC Name2-(3-methyl-4-nitrophenoxy)-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(OCC(=O)Nc2cc(C(C)C)no2)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H17N3O5/c1-9(2)12-7-15(23-17-12)16-14(19)8-22-11-4-5-13(18(20)21)10(3)6-11/h4-7,9H,8H2,1-3H3,(H,16,19)
InChIKeyXXRQJWYTCFWXKU-UHFFFAOYSA-N
XLogP3.03
TPSA107.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 53.03
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-[4-(methylamino)phenoxy]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 61027966
N-[(2S)-butan-2-yl]-2-(3-methyl-4-nitrophenoxy)acetamide
CID 1406901
2-(3-methyl-4-nitrophenoxy)-N-(4-propan-2-yloxyphenyl)acetamide
CID 1406826
2-(3-methyl-4-nitrophenoxy)acetohydrazide
CID 2063569
2-(3-methyl-4-nitrophenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide
CID 2072642
N-tert-butyl-2-(3-methyl-4-nitrophenoxy)acetamide
CID 1406792
(2S)-2-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]-N-propylpropanamide
CID 8648080
2-methylpropyl 4-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]benzoate
CID 1406833
N-(5-chloro-2-methoxyphenyl)-2-(3-methyl-4-nitrophenoxy)acetamide
CID 1406923
N-(5-acetamido-2-methoxyphenyl)-2-(3-methyl-4-nitrophenoxy)acetamide
CID 8648202
3-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]propanoic acid
CID 53264025
2-(3-methyl-4-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 31880526

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-nitrophenoxy)-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of 2-(3-methyl-4-nitrophenoxy)-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide (CID 31880567) is 2-(3-methyl-4-nitrophenoxy)-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for 2-(3-methyl-4-nitrophenoxy)-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for 2-(3-methyl-4-nitrophenoxy)-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide is Cc1cc(OCC(=O)Nc2cc(C(C)C)no2)ccc1[N+](=O)[O-].
What is the InChIKey of 2-(3-methyl-4-nitrophenoxy)-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide?
The InChIKey is XXRQJWYTCFWXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5/c1-9(2)12-7-15(23-17-12)16-14(19)8-22-11-4-5-13(18(20)21)10(3)6-11/h4-7,9H,8H2,1-3H3,(H,16,19).
What are the key properties of 2-(3-methyl-4-nitrophenoxy)-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide?
2-(3-methyl-4-nitrophenoxy)-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide has a molecular weight of 319.32 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-nitrophenoxy)-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 31880567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).