5-(3-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide

C16H19N3O4 — CID 17253008

IUPAC5-(3-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cc(-c2cccc(O)c2)on1
InChIInChI=1S/C16H19N3O4/c20-13-3-1-2-12(10-13)15-11-14(18-23-15)16(21)17-4-5-19-6-8-22-9-7-19/h1-3,10-11,20H,4-9H2,(H,17,21)
InChIKeyDLASRZPKKYTHKY-UHFFFAOYSA-N
MW317.34 g/mol
LogP1.11
Rot. Bonds5

About 5-(3-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide

5-(3-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide (PubChem CID 17253008) has the molecular formula C16H19N3O4 and a molecular weight of 317.34 g/mol. Its IUPAC name is 5-(3-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(3-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide
PubChem CID17253008
Molecular FormulaC16H19N3O4
Molecular Weight317.34 g/mol
Exact Mass317.14
IUPAC Name5-(3-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cc(-c2cccc(O)c2)on1
InChIInChI=1S/C16H19N3O4/c20-13-3-1-2-12(10-13)15-11-14(18-23-15)16(21)17-4-5-19-6-8-22-9-7-19/h1-3,10-11,20H,4-9H2,(H,17,21)
InChIKeyDLASRZPKKYTHKY-UHFFFAOYSA-N
XLogP1.11
TPSA87.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093781
Morpholin-4-yl-(5-p-tolyl-isoxazol-3-yl)-methanone
CID 1093793
N-cyclohexyl-5-(4-methylphenyl)-3-isoxazolecarboxamide
CID 1093785
5-(2-chlorophenyl)-N-[2-(morpholin-4-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 1093869
8-{[5-(4-Methylphenyl)-3-isoxazolyl]carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane
CID 1249903
N-[3-(4-morpholinyl)propyl]-5-phenyl-3-isoxazolecarboxamide
CID 2217157
N-(3-(2-hydroxynicotinamido)propyl)-5-phenylisoxazole-3-carboxamide
CID 60167648
N-cyclopentyl-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093736
N-cyclohexyl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3686576
N-cyclohexyl-5-(4-fluorophenyl)-3-isoxazolecarboxamide
CID 15992620
5-(3-Methoxyphenyl)isoxazol-3-yl morpholin-4-yl ketone
CID 17252862
4-[5-(4-Fluorophenyl)-1,2-oxazole-3-carbonyl]morpholine
CID 22427390

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(3-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide (CID 17253008) is 5-(3-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(3-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(3-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide is O=C(NCCN1CCOCC1)c1cc(-c2cccc(O)c2)on1.
What is the InChIKey of 5-(3-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is DLASRZPKKYTHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c20-13-3-1-2-12(10-13)15-11-14(18-23-15)16(21)17-4-5-19-6-8-22-9-7-19/h1-3,10-11,20H,4-9H2,(H,17,21).
What are the key properties of 5-(3-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide?
5-(3-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 317.34 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 17253008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).