3-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(3-methyl-1,2-oxazol-5-yl)morpholin-4-yl]piperidin-1-yl]-1H-1,2,4-triazol-5-amine

C22H28ClN7O2 — CID 155765979

IUPAC3-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(3-methyl-1,2-oxazol-5-yl)morpholin-4-yl]piperidin-1-yl]-1H-1,2,4-triazol-5-amine
SMILESCc1cc([C@H]2CN(C3CCN(c4n[nH]c(N)n4)CC3)[C@@H](Cc3ccc(Cl)cc3)CO2)on1
InChIInChI=1S/C22H28ClN7O2/c1-14-10-19(32-28-14)20-12-30(18(13-31-20)11-15-2-4-16(23)5-3-15)17-6-8-29(9-7-17)22-25-21(24)26-27-22/h2-5,10,17-18,20H,6-9,11-13H2,1H3,(H3,24,25,26,27)/t18-,20+/m0/s1
InChIKeyZDHICYPYFNMTPC-AZUAARDMSA-N
MW457.97 g/mol
LogP2.99
Rot. Bonds5

About 3-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(3-methyl-1,2-oxazol-5-yl)morpholin-4-yl]piperidin-1-yl]-1H-1,2,4-triazol-5-amine

3-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(3-methyl-1,2-oxazol-5-yl)morpholin-4-yl]piperidin-1-yl]-1H-1,2,4-triazol-5-amine (PubChem CID 155765979) has the molecular formula C22H28ClN7O2 and a molecular weight of 457.97 g/mol. Its IUPAC name is 3-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(3-methyl-1,2-oxazol-5-yl)morpholin-4-yl]piperidin-1-yl]-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound Name3-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(3-methyl-1,2-oxazol-5-yl)morpholin-4-yl]piperidin-1-yl]-1H-1,2,4-triazol-5-amine
PubChem CID155765979
Molecular FormulaC22H28ClN7O2
Molecular Weight457.97 g/mol
Exact Mass457.20
IUPAC Name3-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(3-methyl-1,2-oxazol-5-yl)morpholin-4-yl]piperidin-1-yl]-1H-1,2,4-triazol-5-amine
SMILESCc1cc([C@H]2CN(C3CCN(c4n[nH]c(N)n4)CC3)[C@@H](Cc3ccc(Cl)cc3)CO2)on1
InChIInChI=1S/C22H28ClN7O2/c1-14-10-19(32-28-14)20-12-30(18(13-31-20)11-15-2-4-16(23)5-3-15)17-6-8-29(9-7-17)22-25-21(24)26-27-22/h2-5,10,17-18,20H,6-9,11-13H2,1H3,(H3,24,25,26,27)/t18-,20+/m0/s1
InChIKeyZDHICYPYFNMTPC-AZUAARDMSA-N
XLogP2.99
TPSA109.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.97
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(3-methyl-1,2-oxazol-5-yl)morpholin-4-yl]piperidin-1-yl]-1H-1,2,4-triazol-5-amine 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-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(3-methyl-1,2-oxazol-5-yl)morpholin-4-yl]piperidin-1-yl]-1H-1,2,4-triazol-5-amine?
The IUPAC name of 3-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(3-methyl-1,2-oxazol-5-yl)morpholin-4-yl]piperidin-1-yl]-1H-1,2,4-triazol-5-amine (CID 155765979) is 3-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(3-methyl-1,2-oxazol-5-yl)morpholin-4-yl]piperidin-1-yl]-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for 3-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(3-methyl-1,2-oxazol-5-yl)morpholin-4-yl]piperidin-1-yl]-1H-1,2,4-triazol-5-amine?
The canonical SMILES for 3-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(3-methyl-1,2-oxazol-5-yl)morpholin-4-yl]piperidin-1-yl]-1H-1,2,4-triazol-5-amine is Cc1cc([C@H]2CN(C3CCN(c4n[nH]c(N)n4)CC3)[C@@H](Cc3ccc(Cl)cc3)CO2)on1.
What is the InChIKey of 3-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(3-methyl-1,2-oxazol-5-yl)morpholin-4-yl]piperidin-1-yl]-1H-1,2,4-triazol-5-amine?
The InChIKey is ZDHICYPYFNMTPC-AZUAARDMSA-N. The full InChI is InChI=1S/C22H28ClN7O2/c1-14-10-19(32-28-14)20-12-30(18(13-31-20)11-15-2-4-16(23)5-3-15)17-6-8-29(9-7-17)22-25-21(24)26-27-22/h2-5,10,17-18,20H,6-9,11-13H2,1H3,(H3,24,25,26,27)/t18-,20+/m0/s1.
What are the key properties of 3-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(3-methyl-1,2-oxazol-5-yl)morpholin-4-yl]piperidin-1-yl]-1H-1,2,4-triazol-5-amine?
3-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(3-methyl-1,2-oxazol-5-yl)morpholin-4-yl]piperidin-1-yl]-1H-1,2,4-triazol-5-amine has a molecular weight of 457.97 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(3-methyl-1,2-oxazol-5-yl)morpholin-4-yl]piperidin-1-yl]-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 155765979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).