N,N-diethyl-4-(1-hydroxyethyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide

C17H22N2O4 — CID 162958472

IUPACN,N-diethyl-4-(1-hydroxyethyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide
SMILESCCN(CC)C(=O)c1onc(-c2ccc(OC)cc2)c1C(C)O
InChIInChI=1S/C17H22N2O4/c1-5-19(6-2)17(21)16-14(11(3)20)15(18-23-16)12-7-9-13(22-4)10-8-12/h7-11,20H,5-6H2,1-4H3
InChIKeyJOJOPVBXQULMTA-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.89
Rot. Bonds6

About N,N-diethyl-4-(1-hydroxyethyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide

N,N-diethyl-4-(1-hydroxyethyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide (PubChem CID 162958472) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is N,N-diethyl-4-(1-hydroxyethyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-(1-hydroxyethyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide
PubChem CID162958472
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC NameN,N-diethyl-4-(1-hydroxyethyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide
SMILESCCN(CC)C(=O)c1onc(-c2ccc(OC)cc2)c1C(C)O
InChIInChI=1S/C17H22N2O4/c1-5-19(6-2)17(21)16-14(11(3)20)15(18-23-16)12-7-9-13(22-4)10-8-12/h7-11,20H,5-6H2,1-4H3
InChIKeyJOJOPVBXQULMTA-UHFFFAOYSA-N
XLogP2.89
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-4-[(1S)-1-hydroxyethyl]-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide
CID 100629454
4-(1-hydroxyethyl)-3-(4-methoxyphenyl)-N-propan-2-yl-1,2-oxazole-5-carboxamide
CID 163101755
1-[4-[4-(1-hydroxyethyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 162981738
1-[4-(1-hydroxyethyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carbonyl]pyrrolidine-2-carboxamide
CID 162897099
3-(4-methoxyphenyl)-4-[(1R)-1-[(2-phenylacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid
CID 75368130
5-(1-hydroxyethyl)-3-(4-methoxyphenyl)-N-methyl-1,2-oxazole-4-carboxamide
CID 162801131
N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-4-methoxybenzamide
CID 6494677
N,N-diethyl-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide
CID 86908909
N-ethyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-propoxybenzamide
CID 8778966
N-ethyl-2-(4-methoxyphenyl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 8836273
3-tert-butyl-1-ethyl-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 8895859
4-methoxy-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide
CID 2997308

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(1-hydroxyethyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N,N-diethyl-4-(1-hydroxyethyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide (CID 162958472) is N,N-diethyl-4-(1-hydroxyethyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N,N-diethyl-4-(1-hydroxyethyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N,N-diethyl-4-(1-hydroxyethyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide is CCN(CC)C(=O)c1onc(-c2ccc(OC)cc2)c1C(C)O.
What is the InChIKey of N,N-diethyl-4-(1-hydroxyethyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide?
The InChIKey is JOJOPVBXQULMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-5-19(6-2)17(21)16-14(11(3)20)15(18-23-16)12-7-9-13(22-4)10-8-12/h7-11,20H,5-6H2,1-4H3.
What are the key properties of N,N-diethyl-4-(1-hydroxyethyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide?
N,N-diethyl-4-(1-hydroxyethyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide has a molecular weight of 318.37 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(1-hydroxyethyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 162958472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).