2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[3-(2-methylphenoxy)propyl]acetamide

C16H19ClN2O3 — CID 56826665

IUPAC2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[3-(2-methylphenoxy)propyl]acetamide
SMILESCc1ccccc1OCCCNC(=O)Cc1c(C)noc1Cl
InChIInChI=1S/C16H19ClN2O3/c1-11-6-3-4-7-14(11)21-9-5-8-18-15(20)10-13-12(2)19-22-16(13)17/h3-4,6-7H,5,8-10H2,1-2H3,(H,18,20)
InChIKeyHRZRSIAGOMHNDB-UHFFFAOYSA-N
MW322.79 g/mol
LogP3.07
Rot. Bonds7

About 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[3-(2-methylphenoxy)propyl]acetamide

2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[3-(2-methylphenoxy)propyl]acetamide (PubChem CID 56826665) has the molecular formula C16H19ClN2O3 and a molecular weight of 322.79 g/mol. Its IUPAC name is 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[3-(2-methylphenoxy)propyl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[3-(2-methylphenoxy)propyl]acetamide
PubChem CID56826665
Molecular FormulaC16H19ClN2O3
Molecular Weight322.79 g/mol
Exact Mass322.11
IUPAC Name2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[3-(2-methylphenoxy)propyl]acetamide
SMILESCc1ccccc1OCCCNC(=O)Cc1c(C)noc1Cl
InChIInChI=1S/C16H19ClN2O3/c1-11-6-3-4-7-14(11)21-9-5-8-18-15(20)10-13-12(2)19-22-16(13)17/h3-4,6-7H,5,8-10H2,1-2H3,(H,18,20)
InChIKeyHRZRSIAGOMHNDB-UHFFFAOYSA-N
XLogP3.07
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dimethylquinolin-3-yl)-N-[2-(2-methylphenoxy)ethyl]acetamide
CID 52706430
N-(3-methoxypropyl)-4-(2-methylphenoxy)butanamide
CID 127115832
N-[2-[[2-(5-chloro-3-methyl-1,2-oxazol-4-yl)acetyl]amino]ethyl]-1H-indazole-3-carboxamide
CID 99383022
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]propanamide
CID 95165188
4-(methylamino)-N-[3-(2-methylphenoxy)propyl]butanamide;hydrochloride
CID 119772252
1-ethyl-3-[3-(2-methylphenoxy)propyl]urea
CID 108883834
2-amino-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride
CID 119300070
4-[3-(2-methylphenoxy)propanoylamino]butanoic acid
CID 43239219
1-(5-chloro-2-pyridinyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108884029
1-(3-chlorophenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883801
2-(methylamino)-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride
CID 119742926
2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(3-hydroxy-4-methylpentyl)acetamide
CID 111461266

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[3-(2-methylphenoxy)propyl]acetamide?
The IUPAC name of 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[3-(2-methylphenoxy)propyl]acetamide (CID 56826665) is 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[3-(2-methylphenoxy)propyl]acetamide.
What is the SMILES notation for 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[3-(2-methylphenoxy)propyl]acetamide?
The canonical SMILES for 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[3-(2-methylphenoxy)propyl]acetamide is Cc1ccccc1OCCCNC(=O)Cc1c(C)noc1Cl.
What is the InChIKey of 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[3-(2-methylphenoxy)propyl]acetamide?
The InChIKey is HRZRSIAGOMHNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O3/c1-11-6-3-4-7-14(11)21-9-5-8-18-15(20)10-13-12(2)19-22-16(13)17/h3-4,6-7H,5,8-10H2,1-2H3,(H,18,20).
What are the key properties of 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[3-(2-methylphenoxy)propyl]acetamide?
2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[3-(2-methylphenoxy)propyl]acetamide has a molecular weight of 322.79 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[3-(2-methylphenoxy)propyl]acetamide is sourced from PubChem (CID 56826665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).