N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-3-phenoxypropanamide

C21H22N2O4 — CID 110314807

IUPACN-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-3-phenoxypropanamide
SMILESCOc1cccc(-c2cc(CCNC(=O)CCOc3ccccc3)no2)c1
InChIInChI=1S/C21H22N2O4/c1-25-19-9-5-6-16(14-19)20-15-17(23-27-20)10-12-22-21(24)11-13-26-18-7-3-2-4-8-18/h2-9,14-15H,10-13H2,1H3,(H,22,24)
InChIKeyVQVHLJYDQFTCIO-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.48
Rot. Bonds9

About N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-3-phenoxypropanamide

N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-3-phenoxypropanamide (PubChem CID 110314807) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-3-phenoxypropanamide
PubChem CID110314807
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC NameN-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-3-phenoxypropanamide
SMILESCOc1cccc(-c2cc(CCNC(=O)CCOc3ccccc3)no2)c1
InChIInChI=1S/C21H22N2O4/c1-25-19-9-5-6-16(14-19)20-15-17(23-27-20)10-12-22-21(24)11-13-26-18-7-3-2-4-8-18/h2-9,14-15H,10-13H2,1H3,(H,22,24)
InChIKeyVQVHLJYDQFTCIO-UHFFFAOYSA-N
XLogP3.48
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-2-phenylacetamide
CID 110314800
N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-4-pyridin-3-ylbutanamide
CID 110634060
4-methoxy-N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]benzamide
CID 110314795
1,1-diethyl-3-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]urea
CID 110314830
N-[2-[4-(dimethylamino)phenyl]ethyl]-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 110313446
N-[3-(4-fluorophenoxy)propyl]-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 110313468
ethyl 2-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethylamino]-2-oxoacetate
CID 110314824
N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-3-methylbenzamide
CID 110314788
N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-1-phenylmethanesulfonamide
CID 110314851
N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]morpholine-4-carboxamide
CID 110314831
2-(2-methoxyphenoxy)-N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]acetamide
CID 110314664
N-[2-(3-methoxyphenoxy)ethyl]-3-phenoxypropanamide
CID 113099798

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-3-phenoxypropanamide?
The IUPAC name of N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-3-phenoxypropanamide (CID 110314807) is N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-3-phenoxypropanamide?
The canonical SMILES for N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-3-phenoxypropanamide is COc1cccc(-c2cc(CCNC(=O)CCOc3ccccc3)no2)c1.
What is the InChIKey of N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-3-phenoxypropanamide?
The InChIKey is VQVHLJYDQFTCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-25-19-9-5-6-16(14-19)20-15-17(23-27-20)10-12-22-21(24)11-13-26-18-7-3-2-4-8-18/h2-9,14-15H,10-13H2,1H3,(H,22,24).
What are the key properties of N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-3-phenoxypropanamide?
N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-3-phenoxypropanamide has a molecular weight of 366.42 g/mol, XLogP of 3.48, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-3-phenoxypropanamide is sourced from PubChem (CID 110314807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).