2-morpholin-4-yl-N-[4-[5-[(2-morpholin-4-ylacetyl)amino]-1,3-benzoxazol-2-yl]phenyl]acetamide

C25H29N5O5 — CID 2888588

IUPAC2-morpholin-4-yl-N-[4-[5-[(2-morpholin-4-ylacetyl)amino]-1,3-benzoxazol-2-yl]phenyl]acetamide
SMILESO=C(CN1CCOCC1)Nc1ccc(-c2nc3cc(NC(=O)CN4CCOCC4)ccc3o2)cc1
InChIInChI=1S/C25H29N5O5/c31-23(16-29-7-11-33-12-8-29)26-19-3-1-18(2-4-19)25-28-21-15-20(5-6-22(21)35-25)27-24(32)17-30-9-13-34-14-10-30/h1-6,15H,7-14,16-17H2,(H,26,31)(H,27,32)
InChIKeySECLMLUYNGESCL-UHFFFAOYSA-N
MW479.54 g/mol
LogP2.04
Rot. Bonds7

About 2-morpholin-4-yl-N-[4-[5-[(2-morpholin-4-ylacetyl)amino]-1,3-benzoxazol-2-yl]phenyl]acetamide

2-morpholin-4-yl-N-[4-[5-[(2-morpholin-4-ylacetyl)amino]-1,3-benzoxazol-2-yl]phenyl]acetamide (PubChem CID 2888588) has the molecular formula C25H29N5O5 and a molecular weight of 479.54 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[4-[5-[(2-morpholin-4-ylacetyl)amino]-1,3-benzoxazol-2-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[4-[5-[(2-morpholin-4-ylacetyl)amino]-1,3-benzoxazol-2-yl]phenyl]acetamide
PubChem CID2888588
Molecular FormulaC25H29N5O5
Molecular Weight479.54 g/mol
Exact Mass479.22
IUPAC Name2-morpholin-4-yl-N-[4-[5-[(2-morpholin-4-ylacetyl)amino]-1,3-benzoxazol-2-yl]phenyl]acetamide
SMILESO=C(CN1CCOCC1)Nc1ccc(-c2nc3cc(NC(=O)CN4CCOCC4)ccc3o2)cc1
InChIInChI=1S/C25H29N5O5/c31-23(16-29-7-11-33-12-8-29)26-19-3-1-18(2-4-19)25-28-21-15-20(5-6-22(21)35-25)27-24(32)17-30-9-13-34-14-10-30/h1-6,15H,7-14,16-17H2,(H,26,31)(H,27,32)
InChIKeySECLMLUYNGESCL-UHFFFAOYSA-N
XLogP2.04
TPSA109.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[4-[5-[(2-morpholin-4-ylacetyl)amino]-1,3-benzoxazol-2-yl]phenyl]acetamide?
The IUPAC name of 2-morpholin-4-yl-N-[4-[5-[(2-morpholin-4-ylacetyl)amino]-1,3-benzoxazol-2-yl]phenyl]acetamide (CID 2888588) is 2-morpholin-4-yl-N-[4-[5-[(2-morpholin-4-ylacetyl)amino]-1,3-benzoxazol-2-yl]phenyl]acetamide.
What is the SMILES notation for 2-morpholin-4-yl-N-[4-[5-[(2-morpholin-4-ylacetyl)amino]-1,3-benzoxazol-2-yl]phenyl]acetamide?
The canonical SMILES for 2-morpholin-4-yl-N-[4-[5-[(2-morpholin-4-ylacetyl)amino]-1,3-benzoxazol-2-yl]phenyl]acetamide is O=C(CN1CCOCC1)Nc1ccc(-c2nc3cc(NC(=O)CN4CCOCC4)ccc3o2)cc1.
What is the InChIKey of 2-morpholin-4-yl-N-[4-[5-[(2-morpholin-4-ylacetyl)amino]-1,3-benzoxazol-2-yl]phenyl]acetamide?
The InChIKey is SECLMLUYNGESCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O5/c31-23(16-29-7-11-33-12-8-29)26-19-3-1-18(2-4-19)25-28-21-15-20(5-6-22(21)35-25)27-24(32)17-30-9-13-34-14-10-30/h1-6,15H,7-14,16-17H2,(H,26,31)(H,27,32).
What are the key properties of 2-morpholin-4-yl-N-[4-[5-[(2-morpholin-4-ylacetyl)amino]-1,3-benzoxazol-2-yl]phenyl]acetamide?
2-morpholin-4-yl-N-[4-[5-[(2-morpholin-4-ylacetyl)amino]-1,3-benzoxazol-2-yl]phenyl]acetamide has a molecular weight of 479.54 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[4-[5-[(2-morpholin-4-ylacetyl)amino]-1,3-benzoxazol-2-yl]phenyl]acetamide is sourced from PubChem (CID 2888588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).