(2R)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]propanamide

C17H25N5O3 — CID 98774996

IUPAC(2R)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]propanamide
SMILESCc1nc([C@@H]2CN([C@H](C)C(=O)N[C@@H](C)Cc3ccco3)CCO2)n[nH]1
InChIInChI=1S/C17H25N5O3/c1-11(9-14-5-4-7-24-14)18-17(23)12(2)22-6-8-25-15(10-22)16-19-13(3)20-21-16/h4-5,7,11-12,15H,6,8-10H2,1-3H3,(H,18,23)(H,19,20,21)/t11-,12+,15-/m0/s1
InChIKeyRMZFDANLYSRGTM-ZOWXZIJZSA-N
MW347.42 g/mol
LogP1.22
Rot. Bonds6

About (2R)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]propanamide

(2R)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]propanamide (PubChem CID 98774996) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is (2R)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]propanamide
PubChem CID98774996
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name(2R)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]propanamide
SMILESCc1nc([C@@H]2CN([C@H](C)C(=O)N[C@@H](C)Cc3ccco3)CCO2)n[nH]1
InChIInChI=1S/C17H25N5O3/c1-11(9-14-5-4-7-24-14)18-17(23)12(2)22-6-8-25-15(10-22)16-19-13(3)20-21-16/h4-5,7,11-12,15H,6,8-10H2,1-3H3,(H,18,23)(H,19,20,21)/t11-,12+,15-/m0/s1
InChIKeyRMZFDANLYSRGTM-ZOWXZIJZSA-N
XLogP1.22
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]propanamide 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 (2R)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]propanamide?
The IUPAC name of (2R)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]propanamide (CID 98774996) is (2R)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]propanamide.
What is the SMILES notation for (2R)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]propanamide?
The canonical SMILES for (2R)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]propanamide is Cc1nc([C@@H]2CN([C@H](C)C(=O)N[C@@H](C)Cc3ccco3)CCO2)n[nH]1.
What is the InChIKey of (2R)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]propanamide?
The InChIKey is RMZFDANLYSRGTM-ZOWXZIJZSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-11(9-14-5-4-7-24-14)18-17(23)12(2)22-6-8-25-15(10-22)16-19-13(3)20-21-16/h4-5,7,11-12,15H,6,8-10H2,1-3H3,(H,18,23)(H,19,20,21)/t11-,12+,15-/m0/s1.
What are the key properties of (2R)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]propanamide?
(2R)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]propanamide has a molecular weight of 347.42 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]propanamide is sourced from PubChem (CID 98774996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).