N-(oxan-4-yl)-2-[(3R)-4-[4-(1,2,4-triazol-1-yl)butanoyl]morpholin-3-yl]acetamide

C17H27N5O4 — CID 95877128

IUPACN-(oxan-4-yl)-2-[(3R)-4-[4-(1,2,4-triazol-1-yl)butanoyl]morpholin-3-yl]acetamide
SMILESO=C(C[C@@H]1COCCN1C(=O)CCCn1cncn1)NC1CCOCC1
InChIInChI=1S/C17H27N5O4/c23-16(20-14-3-7-25-8-4-14)10-15-11-26-9-6-22(15)17(24)2-1-5-21-13-18-12-19-21/h12-15H,1-11H2,(H,20,23)/t15-/m1/s1
InChIKeyPUFZPQHMYUXZLC-OAHLLOKOSA-N
MW365.43 g/mol
LogP-0.03
Rot. Bonds7

About N-(oxan-4-yl)-2-[(3R)-4-[4-(1,2,4-triazol-1-yl)butanoyl]morpholin-3-yl]acetamide

N-(oxan-4-yl)-2-[(3R)-4-[4-(1,2,4-triazol-1-yl)butanoyl]morpholin-3-yl]acetamide (PubChem CID 95877128) has the molecular formula C17H27N5O4 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-(oxan-4-yl)-2-[(3R)-4-[4-(1,2,4-triazol-1-yl)butanoyl]morpholin-3-yl]acetamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-2-[(3R)-4-[4-(1,2,4-triazol-1-yl)butanoyl]morpholin-3-yl]acetamide
PubChem CID95877128
Molecular FormulaC17H27N5O4
Molecular Weight365.43 g/mol
Exact Mass365.21
IUPAC NameN-(oxan-4-yl)-2-[(3R)-4-[4-(1,2,4-triazol-1-yl)butanoyl]morpholin-3-yl]acetamide
SMILESO=C(C[C@@H]1COCCN1C(=O)CCCn1cncn1)NC1CCOCC1
InChIInChI=1S/C17H27N5O4/c23-16(20-14-3-7-25-8-4-14)10-15-11-26-9-6-22(15)17(24)2-1-5-21-13-18-12-19-21/h12-15H,1-11H2,(H,20,23)/t15-/m1/s1
InChIKeyPUFZPQHMYUXZLC-OAHLLOKOSA-N
XLogP-0.03
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(oxan-4-yl)-2-[(3R)-4-[4-(1,2,4-triazol-1-yl)butanoyl]morpholin-3-yl]acetamide 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 N-(oxan-4-yl)-2-[(3R)-4-[4-(1,2,4-triazol-1-yl)butanoyl]morpholin-3-yl]acetamide?
The IUPAC name of N-(oxan-4-yl)-2-[(3R)-4-[4-(1,2,4-triazol-1-yl)butanoyl]morpholin-3-yl]acetamide (CID 95877128) is N-(oxan-4-yl)-2-[(3R)-4-[4-(1,2,4-triazol-1-yl)butanoyl]morpholin-3-yl]acetamide.
What is the SMILES notation for N-(oxan-4-yl)-2-[(3R)-4-[4-(1,2,4-triazol-1-yl)butanoyl]morpholin-3-yl]acetamide?
The canonical SMILES for N-(oxan-4-yl)-2-[(3R)-4-[4-(1,2,4-triazol-1-yl)butanoyl]morpholin-3-yl]acetamide is O=C(C[C@@H]1COCCN1C(=O)CCCn1cncn1)NC1CCOCC1.
What is the InChIKey of N-(oxan-4-yl)-2-[(3R)-4-[4-(1,2,4-triazol-1-yl)butanoyl]morpholin-3-yl]acetamide?
The InChIKey is PUFZPQHMYUXZLC-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H27N5O4/c23-16(20-14-3-7-25-8-4-14)10-15-11-26-9-6-22(15)17(24)2-1-5-21-13-18-12-19-21/h12-15H,1-11H2,(H,20,23)/t15-/m1/s1.
What are the key properties of N-(oxan-4-yl)-2-[(3R)-4-[4-(1,2,4-triazol-1-yl)butanoyl]morpholin-3-yl]acetamide?
N-(oxan-4-yl)-2-[(3R)-4-[4-(1,2,4-triazol-1-yl)butanoyl]morpholin-3-yl]acetamide has a molecular weight of 365.43 g/mol, XLogP of -0.03, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-2-[(3R)-4-[4-(1,2,4-triazol-1-yl)butanoyl]morpholin-3-yl]acetamide is sourced from PubChem (CID 95877128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).