1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]urea

C32H33N5O4S — CID 11955270

IUPAC1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]urea
SMILESO=C(Nc1nc(-c2ccc3[nH]c(=O)oc3c2)cs1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1
InChIInChI=1S/C32H33N5O4S/c38-31(35-30-33-28(22-42-30)25-11-12-27-29(21-25)41-32(39)34-27)37(16-15-36-17-19-40-20-18-36)14-13-26(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-12,21-22,26H,13-20H2,(H,34,39)(H,33,35,38)
InChIKeyFYXNWAXOKFUERB-UHFFFAOYSA-N
MW583.71 g/mol
LogP5.63
Rot. Bonds10

About 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]urea

1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]urea (PubChem CID 11955270) has the molecular formula C32H33N5O4S and a molecular weight of 583.71 g/mol. Its IUPAC name is 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]urea
PubChem CID11955270
Molecular FormulaC32H33N5O4S
Molecular Weight583.71 g/mol
Exact Mass583.23
IUPAC Name1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]urea
SMILESO=C(Nc1nc(-c2ccc3[nH]c(=O)oc3c2)cs1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1
InChIInChI=1S/C32H33N5O4S/c38-31(35-30-33-28(22-42-30)25-11-12-27-29(21-25)41-32(39)34-27)37(16-15-36-17-19-40-20-18-36)14-13-26(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-12,21-22,26H,13-20H2,(H,34,39)(H,33,35,38)
InChIKeyFYXNWAXOKFUERB-UHFFFAOYSA-N
XLogP5.63
TPSA103.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.71
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]urea (CID 11955270) is 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]urea is O=C(Nc1nc(-c2ccc3[nH]c(=O)oc3c2)cs1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1.
What is the InChIKey of 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]urea?
The InChIKey is FYXNWAXOKFUERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N5O4S/c38-31(35-30-33-28(22-42-30)25-11-12-27-29(21-25)41-32(39)34-27)37(16-15-36-17-19-40-20-18-36)14-13-26(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-12,21-22,26H,13-20H2,(H,34,39)(H,33,35,38).
What are the key properties of 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]urea?
1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]urea has a molecular weight of 583.71 g/mol, XLogP of 5.63, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 11955270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).