N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]morpholine-4-carboxamide

C17H21N3O4 — CID 110314831

IUPACN-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]morpholine-4-carboxamide
SMILESCOc1cccc(-c2cc(CCNC(=O)N3CCOCC3)no2)c1
InChIInChI=1S/C17H21N3O4/c1-22-15-4-2-3-13(11-15)16-12-14(19-24-16)5-6-18-17(21)20-7-9-23-10-8-20/h2-4,11-12H,5-10H2,1H3,(H,18,21)
InChIKeyZQPWCFZXHSVOON-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.93
Rot. Bonds5

About N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]morpholine-4-carboxamide

N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]morpholine-4-carboxamide (PubChem CID 110314831) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]morpholine-4-carboxamide
PubChem CID110314831
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC NameN-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]morpholine-4-carboxamide
SMILESCOc1cccc(-c2cc(CCNC(=O)N3CCOCC3)no2)c1
InChIInChI=1S/C17H21N3O4/c1-22-15-4-2-3-13(11-15)16-12-14(19-24-16)5-6-18-17(21)20-7-9-23-10-8-20/h2-4,11-12H,5-10H2,1H3,(H,18,21)
InChIKeyZQPWCFZXHSVOON-UHFFFAOYSA-N
XLogP1.93
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]benzamide
CID 110314795
N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-2-phenylacetamide
CID 110314800
1,1-diethyl-3-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]urea
CID 110314830
ethyl 2-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethylamino]-2-oxoacetate
CID 110314824
5-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 3239467
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]-3-phenoxypropanamide
CID 110314807
5-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide
CID 17252860
N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-4-pyridin-3-ylbutanamide
CID 110634060
N-[2-[4-(dimethylamino)phenyl]ethyl]-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 110313446
4-methoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866986
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 110619481

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]morpholine-4-carboxamide?
The IUPAC name of N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]morpholine-4-carboxamide (CID 110314831) is N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]morpholine-4-carboxamide?
The canonical SMILES for N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]morpholine-4-carboxamide is COc1cccc(-c2cc(CCNC(=O)N3CCOCC3)no2)c1.
What is the InChIKey of N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]morpholine-4-carboxamide?
The InChIKey is ZQPWCFZXHSVOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-22-15-4-2-3-13(11-15)16-12-14(19-24-16)5-6-18-17(21)20-7-9-23-10-8-20/h2-4,11-12H,5-10H2,1H3,(H,18,21).
What are the key properties of N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]morpholine-4-carboxamide?
N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]morpholine-4-carboxamide has a molecular weight of 331.37 g/mol, XLogP of 1.93, 5 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]morpholine-4-carboxamide is sourced from PubChem (CID 110314831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).