3-amino-N-[1-cyano-2-[4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)phenyl]ethyl]-4-hydroxycyclopentane-1-carboxamide

C23H24N4O4 — CID 170754272

IUPAC3-amino-N-[1-cyano-2-[4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)phenyl]ethyl]-4-hydroxycyclopentane-1-carboxamide
SMILESCn1c(=O)oc2ccc(-c3ccc(CC(C#N)NC(=O)C4CC(N)C(O)C4)cc3)cc21
InChIInChI=1S/C23H24N4O4/c1-27-19-10-15(6-7-21(19)31-23(27)30)14-4-2-13(3-5-14)8-17(12-24)26-22(29)16-9-18(25)20(28)11-16/h2-7,10,16-18,20,28H,8-9,11,25H2,1H3,(H,26,29)
InChIKeyDXPYJTAQBTVZTN-UHFFFAOYSA-N
MW420.47 g/mol
LogP1.45
Rot. Bonds5

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

3-amino-N-[1-cyano-2-[4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)phenyl]ethyl]-4-hydroxycyclopentane-1-carboxamide (PubChem CID 170754272) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is 3-amino-N-[1-cyano-2-[4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)phenyl]ethyl]-4-hydroxycyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-cyano-2-[4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)phenyl]ethyl]-4-hydroxycyclopentane-1-carboxamide
PubChem CID170754272
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name3-amino-N-[1-cyano-2-[4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)phenyl]ethyl]-4-hydroxycyclopentane-1-carboxamide
SMILESCn1c(=O)oc2ccc(-c3ccc(CC(C#N)NC(=O)C4CC(N)C(O)C4)cc3)cc21
InChIInChI=1S/C23H24N4O4/c1-27-19-10-15(6-7-21(19)31-23(27)30)14-4-2-13(3-5-14)8-17(12-24)26-22(29)16-9-18(25)20(28)11-16/h2-7,10,16-18,20,28H,8-9,11,25H2,1H3,(H,26,29)
InChIKeyDXPYJTAQBTVZTN-UHFFFAOYSA-N
XLogP1.45
TPSA134.28 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-amino-N-[1-cyano-2-[4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)phenyl]ethyl]-4-hydroxycyclopentane-1-carboxamide 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 3-amino-N-[1-cyano-2-[4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)phenyl]ethyl]-4-hydroxycyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[1-cyano-2-[4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)phenyl]ethyl]-4-hydroxycyclopentane-1-carboxamide (CID 170754272) is 3-amino-N-[1-cyano-2-[4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)phenyl]ethyl]-4-hydroxycyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[1-cyano-2-[4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)phenyl]ethyl]-4-hydroxycyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[1-cyano-2-[4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)phenyl]ethyl]-4-hydroxycyclopentane-1-carboxamide is Cn1c(=O)oc2ccc(-c3ccc(CC(C#N)NC(=O)C4CC(N)C(O)C4)cc3)cc21.
What is the InChIKey of 3-amino-N-[1-cyano-2-[4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)phenyl]ethyl]-4-hydroxycyclopentane-1-carboxamide?
The InChIKey is DXPYJTAQBTVZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-27-19-10-15(6-7-21(19)31-23(27)30)14-4-2-13(3-5-14)8-17(12-24)26-22(29)16-9-18(25)20(28)11-16/h2-7,10,16-18,20,28H,8-9,11,25H2,1H3,(H,26,29).
What are the key properties of 3-amino-N-[1-cyano-2-[4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)phenyl]ethyl]-4-hydroxycyclopentane-1-carboxamide?
3-amino-N-[1-cyano-2-[4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)phenyl]ethyl]-4-hydroxycyclopentane-1-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-cyano-2-[4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)phenyl]ethyl]-4-hydroxycyclopentane-1-carboxamide is sourced from PubChem (CID 170754272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).