N-(2-phenoxyethyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide

C19H18N2O4 — CID 71802527

IUPACN-(2-phenoxyethyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide
SMILESO=C(NCCOc1ccccc1)c1cc(OCc2ccccc2)no1
InChIInChI=1S/C19H18N2O4/c22-19(20-11-12-23-16-9-5-2-6-10-16)17-13-18(21-25-17)24-14-15-7-3-1-4-8-15/h1-10,13H,11-12,14H2,(H,20,22)
InChIKeyCHAKBJWJIKDHHU-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.06
Rot. Bonds8

About N-(2-phenoxyethyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide

N-(2-phenoxyethyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide (PubChem CID 71802527) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is N-(2-phenoxyethyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-phenoxyethyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide
PubChem CID71802527
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC NameN-(2-phenoxyethyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide
SMILESO=C(NCCOc1ccccc1)c1cc(OCc2ccccc2)no1
InChIInChI=1S/C19H18N2O4/c22-19(20-11-12-23-16-9-5-2-6-10-16)17-13-18(21-25-17)24-14-15-7-3-1-4-8-15/h1-10,13H,11-12,14H2,(H,20,22)
InChIKeyCHAKBJWJIKDHHU-UHFFFAOYSA-N
XLogP3.06
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide
CID 90574079
N-(2-phenylethyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide
CID 90574114
3-phenylmethoxy-N-prop-2-enyl-1,2-oxazole-5-carboxamide
CID 90574076
N-[2-(1H-indol-3-yl)ethyl]-3-phenylmethoxy-1,2-oxazole-5-carboxamide
CID 90574118
N-(3,4-dimethylphenyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide
CID 90574190
3-phenylmethoxy-N-pyridin-3-yl-1,2-oxazole-5-carboxamide
CID 90574213
N-(oxolan-2-ylmethyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide
CID 90574102
3-phenylmethoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-5-carboxamide
CID 90574012
N-(2,5-dichlorophenyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide
CID 90574182
N-(2-methylquinolin-4-yl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide
CID 90574215
1-(2-phenoxyethyl)-3-(4-phenylmethoxyphenyl)urea
CID 112969756
N-[2-[[5-(hydroxycarbamothioyl)-1,2-oxazol-3-yl]oxy]ethyl]-2-phenylbenzamide
CID 136506340

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyethyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(2-phenoxyethyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide (CID 71802527) is N-(2-phenoxyethyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(2-phenoxyethyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(2-phenoxyethyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide is O=C(NCCOc1ccccc1)c1cc(OCc2ccccc2)no1.
What is the InChIKey of N-(2-phenoxyethyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide?
The InChIKey is CHAKBJWJIKDHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c22-19(20-11-12-23-16-9-5-2-6-10-16)17-13-18(21-25-17)24-14-15-7-3-1-4-8-15/h1-10,13H,11-12,14H2,(H,20,22).
What are the key properties of N-(2-phenoxyethyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide?
N-(2-phenoxyethyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide has a molecular weight of 338.36 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyethyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 71802527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).