N-[1-cyano-2-[4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)phenyl]ethyl]-2-morpholin-3-ylacetamide

C23H24N4O4 — CID 170754102

IUPACN-[1-cyano-2-[4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)phenyl]ethyl]-2-morpholin-3-ylacetamide
SMILESCn1c(=O)oc2ccc(-c3ccc(CC(C#N)NC(=O)CC4COCCN4)cc3)cc21
InChIInChI=1S/C23H24N4O4/c1-27-20-11-17(6-7-21(20)31-23(27)29)16-4-2-15(3-5-16)10-18(13-24)26-22(28)12-19-14-30-9-8-25-19/h2-7,11,18-19,25H,8-10,12,14H2,1H3,(H,26,28)
InChIKeyMTYVYXGWDWFWKN-UHFFFAOYSA-N
MW420.47 g/mol
LogP1.73
Rot. Bonds6

About N-[1-cyano-2-[4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)phenyl]ethyl]-2-morpholin-3-ylacetamide

N-[1-cyano-2-[4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)phenyl]ethyl]-2-morpholin-3-ylacetamide (PubChem CID 170754102) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-[1-cyano-2-[4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)phenyl]ethyl]-2-morpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[1-cyano-2-[4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)phenyl]ethyl]-2-morpholin-3-ylacetamide
PubChem CID170754102
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC NameN-[1-cyano-2-[4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)phenyl]ethyl]-2-morpholin-3-ylacetamide
SMILESCn1c(=O)oc2ccc(-c3ccc(CC(C#N)NC(=O)CC4COCCN4)cc3)cc21
InChIInChI=1S/C23H24N4O4/c1-27-20-11-17(6-7-21(20)31-23(27)29)16-4-2-15(3-5-16)10-18(13-24)26-22(28)12-19-14-30-9-8-25-19/h2-7,11,18-19,25H,8-10,12,14H2,1H3,(H,26,28)
InChIKeyMTYVYXGWDWFWKN-UHFFFAOYSA-N
XLogP1.73
TPSA109.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-cyano-2-[4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)phenyl]ethyl]-2-morpholin-3-ylacetamide?
The IUPAC name of N-[1-cyano-2-[4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)phenyl]ethyl]-2-morpholin-3-ylacetamide (CID 170754102) is N-[1-cyano-2-[4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)phenyl]ethyl]-2-morpholin-3-ylacetamide.
What is the SMILES notation for N-[1-cyano-2-[4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)phenyl]ethyl]-2-morpholin-3-ylacetamide?
The canonical SMILES for N-[1-cyano-2-[4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)phenyl]ethyl]-2-morpholin-3-ylacetamide is Cn1c(=O)oc2ccc(-c3ccc(CC(C#N)NC(=O)CC4COCCN4)cc3)cc21.
What is the InChIKey of N-[1-cyano-2-[4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)phenyl]ethyl]-2-morpholin-3-ylacetamide?
The InChIKey is MTYVYXGWDWFWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-27-20-11-17(6-7-21(20)31-23(27)29)16-4-2-15(3-5-16)10-18(13-24)26-22(28)12-19-14-30-9-8-25-19/h2-7,11,18-19,25H,8-10,12,14H2,1H3,(H,26,28).
What are the key properties of N-[1-cyano-2-[4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)phenyl]ethyl]-2-morpholin-3-ylacetamide?
N-[1-cyano-2-[4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)phenyl]ethyl]-2-morpholin-3-ylacetamide has a molecular weight of 420.47 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyano-2-[4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)phenyl]ethyl]-2-morpholin-3-ylacetamide is sourced from PubChem (CID 170754102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).