2-[5-(3-chlorophenyl)-2-[4-(2-morpholin-4-ylethyl)phenyl]-1,3-oxazol-4-yl]-N-propan-2-ylacetamide

C26H30ClN3O3 — CID 90370400

IUPAC2-[5-(3-chlorophenyl)-2-[4-(2-morpholin-4-ylethyl)phenyl]-1,3-oxazol-4-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cc1nc(-c2ccc(CCN3CCOCC3)cc2)oc1-c1cccc(Cl)c1
InChIInChI=1S/C26H30ClN3O3/c1-18(2)28-24(31)17-23-25(21-4-3-5-22(27)16-21)33-26(29-23)20-8-6-19(7-9-20)10-11-30-12-14-32-15-13-30/h3-9,16,18H,10-15,17H2,1-2H3,(H,28,31)
InChIKeyPZWFEFOPPWZZRB-UHFFFAOYSA-N
MW468.00 g/mol
LogP4.60
Rot. Bonds8

About 2-[5-(3-chlorophenyl)-2-[4-(2-morpholin-4-ylethyl)phenyl]-1,3-oxazol-4-yl]-N-propan-2-ylacetamide

2-[5-(3-chlorophenyl)-2-[4-(2-morpholin-4-ylethyl)phenyl]-1,3-oxazol-4-yl]-N-propan-2-ylacetamide (PubChem CID 90370400) has the molecular formula C26H30ClN3O3 and a molecular weight of 468.00 g/mol. Its IUPAC name is 2-[5-(3-chlorophenyl)-2-[4-(2-morpholin-4-ylethyl)phenyl]-1,3-oxazol-4-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[5-(3-chlorophenyl)-2-[4-(2-morpholin-4-ylethyl)phenyl]-1,3-oxazol-4-yl]-N-propan-2-ylacetamide
PubChem CID90370400
Molecular FormulaC26H30ClN3O3
Molecular Weight468.00 g/mol
Exact Mass467.20
IUPAC Name2-[5-(3-chlorophenyl)-2-[4-(2-morpholin-4-ylethyl)phenyl]-1,3-oxazol-4-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cc1nc(-c2ccc(CCN3CCOCC3)cc2)oc1-c1cccc(Cl)c1
InChIInChI=1S/C26H30ClN3O3/c1-18(2)28-24(31)17-23-25(21-4-3-5-22(27)16-21)33-26(29-23)20-8-6-19(7-9-20)10-11-30-12-14-32-15-13-30/h3-9,16,18H,10-15,17H2,1-2H3,(H,28,31)
InChIKeyPZWFEFOPPWZZRB-UHFFFAOYSA-N
XLogP4.60
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.00
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-chlorophenyl)-2-[4-(2-morpholin-4-ylethyl)phenyl]-1,3-oxazol-4-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[5-(3-chlorophenyl)-2-[4-(2-morpholin-4-ylethyl)phenyl]-1,3-oxazol-4-yl]-N-propan-2-ylacetamide (CID 90370400) is 2-[5-(3-chlorophenyl)-2-[4-(2-morpholin-4-ylethyl)phenyl]-1,3-oxazol-4-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[5-(3-chlorophenyl)-2-[4-(2-morpholin-4-ylethyl)phenyl]-1,3-oxazol-4-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[5-(3-chlorophenyl)-2-[4-(2-morpholin-4-ylethyl)phenyl]-1,3-oxazol-4-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cc1nc(-c2ccc(CCN3CCOCC3)cc2)oc1-c1cccc(Cl)c1.
What is the InChIKey of 2-[5-(3-chlorophenyl)-2-[4-(2-morpholin-4-ylethyl)phenyl]-1,3-oxazol-4-yl]-N-propan-2-ylacetamide?
The InChIKey is PZWFEFOPPWZZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN3O3/c1-18(2)28-24(31)17-23-25(21-4-3-5-22(27)16-21)33-26(29-23)20-8-6-19(7-9-20)10-11-30-12-14-32-15-13-30/h3-9,16,18H,10-15,17H2,1-2H3,(H,28,31).
What are the key properties of 2-[5-(3-chlorophenyl)-2-[4-(2-morpholin-4-ylethyl)phenyl]-1,3-oxazol-4-yl]-N-propan-2-ylacetamide?
2-[5-(3-chlorophenyl)-2-[4-(2-morpholin-4-ylethyl)phenyl]-1,3-oxazol-4-yl]-N-propan-2-ylacetamide has a molecular weight of 468.00 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-chlorophenyl)-2-[4-(2-morpholin-4-ylethyl)phenyl]-1,3-oxazol-4-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 90370400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).