N-ethyl-3-(2-hydroxy-5-propan-2-ylphenyl)-4-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-5-carboxamide

C27H33N3O3 — CID 137255266

IUPACN-ethyl-3-(2-hydroxy-5-propan-2-ylphenyl)-4-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-5-carboxamide
SMILESCCNC(=O)c1onc(-c2cc(C(C)C)ccc2O)c1-c1ccc2c(c1)CCN(C(C)C)C2
InChIInChI=1S/C27H33N3O3/c1-6-28-27(32)26-24(20-7-8-21-15-30(17(4)5)12-11-19(21)13-20)25(29-33-26)22-14-18(16(2)3)9-10-23(22)31/h7-10,13-14,16-17,31H,6,11-12,15H2,1-5H3,(H,28,32)
InChIKeyOMEQOICXBUWWMW-UHFFFAOYSA-N
MW447.58 g/mol
LogP5.35
Rot. Bonds6

About N-ethyl-3-(2-hydroxy-5-propan-2-ylphenyl)-4-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-5-carboxamide

N-ethyl-3-(2-hydroxy-5-propan-2-ylphenyl)-4-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-5-carboxamide (PubChem CID 137255266) has the molecular formula C27H33N3O3 and a molecular weight of 447.58 g/mol. Its IUPAC name is N-ethyl-3-(2-hydroxy-5-propan-2-ylphenyl)-4-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-(2-hydroxy-5-propan-2-ylphenyl)-4-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-5-carboxamide
PubChem CID137255266
Molecular FormulaC27H33N3O3
Molecular Weight447.58 g/mol
Exact Mass447.25
IUPAC NameN-ethyl-3-(2-hydroxy-5-propan-2-ylphenyl)-4-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-5-carboxamide
SMILESCCNC(=O)c1onc(-c2cc(C(C)C)ccc2O)c1-c1ccc2c(c1)CCN(C(C)C)C2
InChIInChI=1S/C27H33N3O3/c1-6-28-27(32)26-24(20-7-8-21-15-30(17(4)5)12-11-19(21)13-20)25(29-33-26)22-14-18(16(2)3)9-10-23(22)31/h7-10,13-14,16-17,31H,6,11-12,15H2,1-5H3,(H,28,32)
InChIKeyOMEQOICXBUWWMW-UHFFFAOYSA-N
XLogP5.35
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.58
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-ethyl-3-(2-hydroxy-5-propan-2-ylphenyl)-4-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-[4-(piperidin-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 135517488
5-[2,4-dihydroxy-5-(2-methylphenyl)phenyl]-N-ethyl-4-[4-(piperidin-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 135749947
5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-[(2R)-1-(ethylamino)-3-methyl-1-oxobutan-2-yl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 137640720
5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-[(2R)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 137653255
US10035792, Example 39
CID 136214940
US10035792, Example 40
CID 136214941
US10035792, Example 46
CID 136214947
US10035792, Example 65
CID 136214966
US10035792, Example 71
CID 136214972
US10035792, Example 1
CID 136214902
US10035792, Example 12
CID 136214913
US10035792, Example 27
CID 136214928

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-hydroxy-5-propan-2-ylphenyl)-4-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-ethyl-3-(2-hydroxy-5-propan-2-ylphenyl)-4-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-5-carboxamide (CID 137255266) is N-ethyl-3-(2-hydroxy-5-propan-2-ylphenyl)-4-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-ethyl-3-(2-hydroxy-5-propan-2-ylphenyl)-4-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-ethyl-3-(2-hydroxy-5-propan-2-ylphenyl)-4-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-5-carboxamide is CCNC(=O)c1onc(-c2cc(C(C)C)ccc2O)c1-c1ccc2c(c1)CCN(C(C)C)C2.
What is the InChIKey of N-ethyl-3-(2-hydroxy-5-propan-2-ylphenyl)-4-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-5-carboxamide?
The InChIKey is OMEQOICXBUWWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O3/c1-6-28-27(32)26-24(20-7-8-21-15-30(17(4)5)12-11-19(21)13-20)25(29-33-26)22-14-18(16(2)3)9-10-23(22)31/h7-10,13-14,16-17,31H,6,11-12,15H2,1-5H3,(H,28,32).
What are the key properties of N-ethyl-3-(2-hydroxy-5-propan-2-ylphenyl)-4-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-5-carboxamide?
N-ethyl-3-(2-hydroxy-5-propan-2-ylphenyl)-4-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-5-carboxamide has a molecular weight of 447.58 g/mol, XLogP of 5.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-hydroxy-5-propan-2-ylphenyl)-4-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 137255266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).