2-[[5-methyl-2-(3-morpholin-4-ylphenyl)-1,3-oxazole-4-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid

C23H24N4O5 — CID 44571171

IUPAC2-[[5-methyl-2-(3-morpholin-4-ylphenyl)-1,3-oxazole-4-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid
SMILESCc1oc(-c2cccc(N3CCOCC3)c2)nc1C(=O)N(CC(=O)O)Cc1ccccn1
InChIInChI=1S/C23H24N4O5/c1-16-21(23(30)27(15-20(28)29)14-18-6-2-3-8-24-18)25-22(32-16)17-5-4-7-19(13-17)26-9-11-31-12-10-26/h2-8,13H,9-12,14-15H2,1H3,(H,28,29)
InChIKeyWHVVLMAHOBDDQG-UHFFFAOYSA-N
MW436.47 g/mol
LogP2.61
Rot. Bonds7

About 2-[[5-methyl-2-(3-morpholin-4-ylphenyl)-1,3-oxazole-4-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid

2-[[5-methyl-2-(3-morpholin-4-ylphenyl)-1,3-oxazole-4-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid (PubChem CID 44571171) has the molecular formula C23H24N4O5 and a molecular weight of 436.47 g/mol. Its IUPAC name is 2-[[5-methyl-2-(3-morpholin-4-ylphenyl)-1,3-oxazole-4-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[5-methyl-2-(3-morpholin-4-ylphenyl)-1,3-oxazole-4-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid
PubChem CID44571171
Molecular FormulaC23H24N4O5
Molecular Weight436.47 g/mol
Exact Mass436.17
IUPAC Name2-[[5-methyl-2-(3-morpholin-4-ylphenyl)-1,3-oxazole-4-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid
SMILESCc1oc(-c2cccc(N3CCOCC3)c2)nc1C(=O)N(CC(=O)O)Cc1ccccn1
InChIInChI=1S/C23H24N4O5/c1-16-21(23(30)27(15-20(28)29)14-18-6-2-3-8-24-18)25-22(32-16)17-5-4-7-19(13-17)26-9-11-31-12-10-26/h2-8,13H,9-12,14-15H2,1H3,(H,28,29)
InChIKeyWHVVLMAHOBDDQG-UHFFFAOYSA-N
XLogP2.61
TPSA109.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[5-methyl-2-(3-morpholin-4-ylphenyl)-1,3-oxazole-4-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid 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 2-[[5-methyl-2-(3-morpholin-4-ylphenyl)-1,3-oxazole-4-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid?
The IUPAC name of 2-[[5-methyl-2-(3-morpholin-4-ylphenyl)-1,3-oxazole-4-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid (CID 44571171) is 2-[[5-methyl-2-(3-morpholin-4-ylphenyl)-1,3-oxazole-4-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[[5-methyl-2-(3-morpholin-4-ylphenyl)-1,3-oxazole-4-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid?
The canonical SMILES for 2-[[5-methyl-2-(3-morpholin-4-ylphenyl)-1,3-oxazole-4-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid is Cc1oc(-c2cccc(N3CCOCC3)c2)nc1C(=O)N(CC(=O)O)Cc1ccccn1.
What is the InChIKey of 2-[[5-methyl-2-(3-morpholin-4-ylphenyl)-1,3-oxazole-4-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid?
The InChIKey is WHVVLMAHOBDDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O5/c1-16-21(23(30)27(15-20(28)29)14-18-6-2-3-8-24-18)25-22(32-16)17-5-4-7-19(13-17)26-9-11-31-12-10-26/h2-8,13H,9-12,14-15H2,1H3,(H,28,29).
What are the key properties of 2-[[5-methyl-2-(3-morpholin-4-ylphenyl)-1,3-oxazole-4-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid?
2-[[5-methyl-2-(3-morpholin-4-ylphenyl)-1,3-oxazole-4-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid has a molecular weight of 436.47 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-methyl-2-(3-morpholin-4-ylphenyl)-1,3-oxazole-4-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid is sourced from PubChem (CID 44571171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).