3-(3-aminophenoxy)-N-(3,4-dimethyl-1,2-oxazol-5-yl)propanamide

C14H17N3O3 — CID 65486033

IUPAC3-(3-aminophenoxy)-N-(3,4-dimethyl-1,2-oxazol-5-yl)propanamide
SMILESCc1noc(NC(=O)CCOc2cccc(N)c2)c1C
InChIInChI=1S/C14H17N3O3/c1-9-10(2)17-20-14(9)16-13(18)6-7-19-12-5-3-4-11(15)8-12/h3-5,8H,6-7,15H2,1-2H3,(H,16,18)
InChIKeyWZZAPXZCKNUROV-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.28
Rot. Bonds5

About 3-(3-aminophenoxy)-N-(3,4-dimethyl-1,2-oxazol-5-yl)propanamide

3-(3-aminophenoxy)-N-(3,4-dimethyl-1,2-oxazol-5-yl)propanamide (PubChem CID 65486033) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-(3-aminophenoxy)-N-(3,4-dimethyl-1,2-oxazol-5-yl)propanamide.

Molecular Properties

Compound Name3-(3-aminophenoxy)-N-(3,4-dimethyl-1,2-oxazol-5-yl)propanamide
PubChem CID65486033
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name3-(3-aminophenoxy)-N-(3,4-dimethyl-1,2-oxazol-5-yl)propanamide
SMILESCc1noc(NC(=O)CCOc2cccc(N)c2)c1C
InChIInChI=1S/C14H17N3O3/c1-9-10(2)17-20-14(9)16-13(18)6-7-19-12-5-3-4-11(15)8-12/h3-5,8H,6-7,15H2,1-2H3,(H,16,18)
InChIKeyWZZAPXZCKNUROV-UHFFFAOYSA-N
XLogP2.28
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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CID 61464165
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3-(3-aminophenoxy)-N-(3,5-dichlorophenyl)propanamide
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3-(3-aminophenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 61282739
N-(3-aminophenyl)-3-(3-fluorophenoxy)propanamide
CID 16792632
3-(3-aminophenoxy)-N-thiophen-3-ylpropanamide
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3-(3-aminophenoxy)-N-(3-ethylpentan-3-yl)propanamide
CID 65039442
3-(3-aminophenoxy)-N-(2,3-dichlorophenyl)propanamide
CID 61095310
3-(3-aminophenoxy)-N-[(6-methyl-2-pyridinyl)methyl]propanamide
CID 62322289
3-(3-aminophenoxy)-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 61093998
3-(3-aminophenoxy)-N-[(1,3-dimethylpyrazol-4-yl)methyl]propanamide
CID 115988957

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenoxy)-N-(3,4-dimethyl-1,2-oxazol-5-yl)propanamide?
The IUPAC name of 3-(3-aminophenoxy)-N-(3,4-dimethyl-1,2-oxazol-5-yl)propanamide (CID 65486033) is 3-(3-aminophenoxy)-N-(3,4-dimethyl-1,2-oxazol-5-yl)propanamide.
What is the SMILES notation for 3-(3-aminophenoxy)-N-(3,4-dimethyl-1,2-oxazol-5-yl)propanamide?
The canonical SMILES for 3-(3-aminophenoxy)-N-(3,4-dimethyl-1,2-oxazol-5-yl)propanamide is Cc1noc(NC(=O)CCOc2cccc(N)c2)c1C.
What is the InChIKey of 3-(3-aminophenoxy)-N-(3,4-dimethyl-1,2-oxazol-5-yl)propanamide?
The InChIKey is WZZAPXZCKNUROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-9-10(2)17-20-14(9)16-13(18)6-7-19-12-5-3-4-11(15)8-12/h3-5,8H,6-7,15H2,1-2H3,(H,16,18).
What are the key properties of 3-(3-aminophenoxy)-N-(3,4-dimethyl-1,2-oxazol-5-yl)propanamide?
3-(3-aminophenoxy)-N-(3,4-dimethyl-1,2-oxazol-5-yl)propanamide has a molecular weight of 275.31 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenoxy)-N-(3,4-dimethyl-1,2-oxazol-5-yl)propanamide is sourced from PubChem (CID 65486033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).