(2R)-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-2-(4-fluorophenyl)acetamide

C16H20FN5O2 — CID 100870601

IUPAC(2R)-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-2-(4-fluorophenyl)acetamide
SMILESCCc1nc([C@H]2CN([C@@H](C(N)=O)c3ccc(F)cc3)CCO2)n[nH]1
InChIInChI=1S/C16H20FN5O2/c1-2-13-19-16(21-20-13)12-9-22(7-8-24-12)14(15(18)23)10-3-5-11(17)6-4-10/h3-6,12,14H,2,7-9H2,1H3,(H2,18,23)(H,19,20,21)/t12-,14-/m1/s1
InChIKeyMCQMJOTWTRNDPD-TZMCWYRMSA-N
MW333.37 g/mol
LogP1.11
Rot. Bonds5

About (2R)-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-2-(4-fluorophenyl)acetamide

(2R)-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-2-(4-fluorophenyl)acetamide (PubChem CID 100870601) has the molecular formula C16H20FN5O2 and a molecular weight of 333.37 g/mol. Its IUPAC name is (2R)-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name(2R)-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-2-(4-fluorophenyl)acetamide
PubChem CID100870601
Molecular FormulaC16H20FN5O2
Molecular Weight333.37 g/mol
Exact Mass333.16
IUPAC Name(2R)-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-2-(4-fluorophenyl)acetamide
SMILESCCc1nc([C@H]2CN([C@@H](C(N)=O)c3ccc(F)cc3)CCO2)n[nH]1
InChIInChI=1S/C16H20FN5O2/c1-2-13-19-16(21-20-13)12-9-22(7-8-24-12)14(15(18)23)10-3-5-11(17)6-4-10/h3-6,12,14H,2,7-9H2,1H3,(H2,18,23)(H,19,20,21)/t12-,14-/m1/s1
InChIKeyMCQMJOTWTRNDPD-TZMCWYRMSA-N
XLogP1.11
TPSA97.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of (2R)-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-2-(4-fluorophenyl)acetamide (CID 100870601) is (2R)-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for (2R)-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for (2R)-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-2-(4-fluorophenyl)acetamide is CCc1nc([C@H]2CN([C@@H](C(N)=O)c3ccc(F)cc3)CCO2)n[nH]1.
What is the InChIKey of (2R)-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-2-(4-fluorophenyl)acetamide?
The InChIKey is MCQMJOTWTRNDPD-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H20FN5O2/c1-2-13-19-16(21-20-13)12-9-22(7-8-24-12)14(15(18)23)10-3-5-11(17)6-4-10/h3-6,12,14H,2,7-9H2,1H3,(H2,18,23)(H,19,20,21)/t12-,14-/m1/s1.
What are the key properties of (2R)-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-2-(4-fluorophenyl)acetamide?
(2R)-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-2-(4-fluorophenyl)acetamide has a molecular weight of 333.37 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 100870601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).