N-[2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-2-morpholin-4-ylacetamide

C25H25N5O5 — CID 22459719

IUPACN-[2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-2-morpholin-4-ylacetamide
SMILESCOc1cc(Nc2ncc(-c3ccccc3NC(=O)CN3CCOCC3)o2)ccc1-c1cnco1
InChIInChI=1S/C25H25N5O5/c1-32-21-12-17(6-7-19(21)22-13-26-16-34-22)28-25-27-14-23(35-25)18-4-2-3-5-20(18)29-24(31)15-30-8-10-33-11-9-30/h2-7,12-14,16H,8-11,15H2,1H3,(H,27,28)(H,29,31)
InChIKeyYFTVIMASUYAQSO-UHFFFAOYSA-N
MW475.51 g/mol
LogP4.02
Rot. Bonds8

About N-[2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-2-morpholin-4-ylacetamide

N-[2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-2-morpholin-4-ylacetamide (PubChem CID 22459719) has the molecular formula C25H25N5O5 and a molecular weight of 475.51 g/mol. Its IUPAC name is N-[2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-2-morpholin-4-ylacetamide
PubChem CID22459719
Molecular FormulaC25H25N5O5
Molecular Weight475.51 g/mol
Exact Mass475.19
IUPAC NameN-[2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-2-morpholin-4-ylacetamide
SMILESCOc1cc(Nc2ncc(-c3ccccc3NC(=O)CN3CCOCC3)o2)ccc1-c1cnco1
InChIInChI=1S/C25H25N5O5/c1-32-21-12-17(6-7-19(21)22-13-26-16-34-22)28-25-27-14-23(35-25)18-4-2-3-5-20(18)29-24(31)15-30-8-10-33-11-9-30/h2-7,12-14,16H,8-11,15H2,1H3,(H,27,28)(H,29,31)
InChIKeyYFTVIMASUYAQSO-UHFFFAOYSA-N
XLogP4.02
TPSA114.89 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.51
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-2-morpholin-4-ylacetamide (CID 22459719) is N-[2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-2-morpholin-4-ylacetamide is COc1cc(Nc2ncc(-c3ccccc3NC(=O)CN3CCOCC3)o2)ccc1-c1cnco1.
What is the InChIKey of N-[2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-2-morpholin-4-ylacetamide?
The InChIKey is YFTVIMASUYAQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O5/c1-32-21-12-17(6-7-19(21)22-13-26-16-34-22)28-25-27-14-23(35-25)18-4-2-3-5-20(18)29-24(31)15-30-8-10-33-11-9-30/h2-7,12-14,16H,8-11,15H2,1H3,(H,27,28)(H,29,31).
What are the key properties of N-[2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-2-morpholin-4-ylacetamide?
N-[2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-2-morpholin-4-ylacetamide has a molecular weight of 475.51 g/mol, XLogP of 4.02, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 22459719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).