N-ethyl-5-[[2-methoxy-5-[4-(morpholin-4-ylmethyl)phenyl]phenyl]methyl]-1,2-oxazole-3-carboxamide

C25H29N3O4 — CID 178145962

IUPACN-ethyl-5-[[2-methoxy-5-[4-(morpholin-4-ylmethyl)phenyl]phenyl]methyl]-1,2-oxazole-3-carboxamide
SMILESCCNC(=O)c1cc(Cc2cc(-c3ccc(CN4CCOCC4)cc3)ccc2OC)on1
InChIInChI=1S/C25H29N3O4/c1-3-26-25(29)23-16-22(32-27-23)15-21-14-20(8-9-24(21)30-2)19-6-4-18(5-7-19)17-28-10-12-31-13-11-28/h4-9,14,16H,3,10-13,15,17H2,1-2H3,(H,26,29)
InChIKeyVFDRHKVFOFLLFA-UHFFFAOYSA-N
MW435.52 g/mol
LogP3.52
Rot. Bonds8

About N-ethyl-5-[[2-methoxy-5-[4-(morpholin-4-ylmethyl)phenyl]phenyl]methyl]-1,2-oxazole-3-carboxamide

N-ethyl-5-[[2-methoxy-5-[4-(morpholin-4-ylmethyl)phenyl]phenyl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 178145962) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is N-ethyl-5-[[2-methoxy-5-[4-(morpholin-4-ylmethyl)phenyl]phenyl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-[[2-methoxy-5-[4-(morpholin-4-ylmethyl)phenyl]phenyl]methyl]-1,2-oxazole-3-carboxamide
PubChem CID178145962
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC NameN-ethyl-5-[[2-methoxy-5-[4-(morpholin-4-ylmethyl)phenyl]phenyl]methyl]-1,2-oxazole-3-carboxamide
SMILESCCNC(=O)c1cc(Cc2cc(-c3ccc(CN4CCOCC4)cc3)ccc2OC)on1
InChIInChI=1S/C25H29N3O4/c1-3-26-25(29)23-16-22(32-27-23)15-21-14-20(8-9-24(21)30-2)19-6-4-18(5-7-19)17-28-10-12-31-13-11-28/h4-9,14,16H,3,10-13,15,17H2,1-2H3,(H,26,29)
InChIKeyVFDRHKVFOFLLFA-UHFFFAOYSA-N
XLogP3.52
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-5-(5-ethyl-2-hydroxy-4-methoxyphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 135749950
2-(5-acetyl-2-methoxyphenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 31446019
N-[2-(4-ethoxyphenyl)ethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950937
N-[4-(morpholin-4-ylmethyl)phenyl]-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950987
[2-methoxy-5-[5-(morpholin-4-ylmethyl)-2-pyridinyl]phenyl]methanol
CID 90399338
5-(3,4-dimethoxyphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide
CID 15999607
N-(2-ethylphenyl)-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950884
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 38151262
5-(5-chloro-2-hydroxy-4-methoxyphenyl)-N-ethyl-1-[4-(morpholin-4-ylmethyl)phenyl]pyrrole-2-carboxamide
CID 44543799
2-methoxy-5-(morpholin-4-ylmethyl)benzoic acid
CID 46785387
N-ethyl-5-[5-ethyl-2,4-bis(phenylmethoxy)phenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 24773624
N-(3,4-dimethoxyphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 1099911

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[[2-methoxy-5-[4-(morpholin-4-ylmethyl)phenyl]phenyl]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-ethyl-5-[[2-methoxy-5-[4-(morpholin-4-ylmethyl)phenyl]phenyl]methyl]-1,2-oxazole-3-carboxamide (CID 178145962) is N-ethyl-5-[[2-methoxy-5-[4-(morpholin-4-ylmethyl)phenyl]phenyl]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-ethyl-5-[[2-methoxy-5-[4-(morpholin-4-ylmethyl)phenyl]phenyl]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-ethyl-5-[[2-methoxy-5-[4-(morpholin-4-ylmethyl)phenyl]phenyl]methyl]-1,2-oxazole-3-carboxamide is CCNC(=O)c1cc(Cc2cc(-c3ccc(CN4CCOCC4)cc3)ccc2OC)on1.
What is the InChIKey of N-ethyl-5-[[2-methoxy-5-[4-(morpholin-4-ylmethyl)phenyl]phenyl]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is VFDRHKVFOFLLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4/c1-3-26-25(29)23-16-22(32-27-23)15-21-14-20(8-9-24(21)30-2)19-6-4-18(5-7-19)17-28-10-12-31-13-11-28/h4-9,14,16H,3,10-13,15,17H2,1-2H3,(H,26,29).
What are the key properties of N-ethyl-5-[[2-methoxy-5-[4-(morpholin-4-ylmethyl)phenyl]phenyl]methyl]-1,2-oxazole-3-carboxamide?
N-ethyl-5-[[2-methoxy-5-[4-(morpholin-4-ylmethyl)phenyl]phenyl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 435.52 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[[2-methoxy-5-[4-(morpholin-4-ylmethyl)phenyl]phenyl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 178145962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).