5-(4-methoxyphenyl)-N-[2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide

C26H31N3O4 — CID 45132937

IUPAC5-(4-methoxyphenyl)-N-[2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCC(c3ccc(C(C)C)cc3)N3CCOCC3)no2)cc1
InChIInChI=1S/C26H31N3O4/c1-18(2)19-4-6-20(7-5-19)24(29-12-14-32-15-13-29)17-27-26(30)23-16-25(33-28-23)21-8-10-22(31-3)11-9-21/h4-11,16,18,24H,12-15,17H2,1-3H3,(H,27,30)
InChIKeyKUGRDIUNCKPAPU-UHFFFAOYSA-N
MW449.55 g/mol
LogP4.28
Rot. Bonds8

About 5-(4-methoxyphenyl)-N-[2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide

5-(4-methoxyphenyl)-N-[2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 45132937) has the molecular formula C26H31N3O4 and a molecular weight of 449.55 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-[2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-[2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID45132937
Molecular FormulaC26H31N3O4
Molecular Weight449.55 g/mol
Exact Mass449.23
IUPAC Name5-(4-methoxyphenyl)-N-[2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCC(c3ccc(C(C)C)cc3)N3CCOCC3)no2)cc1
InChIInChI=1S/C26H31N3O4/c1-18(2)19-4-6-20(7-5-19)24(29-12-14-32-15-13-29)17-27-26(30)23-16-25(33-28-23)21-8-10-22(31-3)11-9-21/h4-11,16,18,24H,12-15,17H2,1-3H3,(H,27,30)
InChIKeyKUGRDIUNCKPAPU-UHFFFAOYSA-N
XLogP4.28
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide
CID 139582697
5-(4-methoxyphenyl)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 45133034
N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 17016119
5-(4-ethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 50754362
5-cyclopropyl-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1,2-oxazole-3-carboxamide
CID 32911137
N-[(2R)-2-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 42272190
5-(4-ethoxy-3-methylphenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 42271295
N-[(2R)-2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide
CID 39867348
N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide
CID 39868162
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxamide
CID 50754403
3-methoxy-N-[(2S)-2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 35576988
N-[(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-5-[4-(2-methylpropoxy)phenyl]-1,2-oxazole-3-carboxamide
CID 35582783

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-[2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-methoxyphenyl)-N-[2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide (CID 45132937) is 5-(4-methoxyphenyl)-N-[2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-[2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-methoxyphenyl)-N-[2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide is COc1ccc(-c2cc(C(=O)NCC(c3ccc(C(C)C)cc3)N3CCOCC3)no2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-[2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is KUGRDIUNCKPAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O4/c1-18(2)19-4-6-20(7-5-19)24(29-12-14-32-15-13-29)17-27-26(30)23-16-25(33-28-23)21-8-10-22(31-3)11-9-21/h4-11,16,18,24H,12-15,17H2,1-3H3,(H,27,30).
What are the key properties of 5-(4-methoxyphenyl)-N-[2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide?
5-(4-methoxyphenyl)-N-[2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 449.55 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-[2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 45132937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).