N-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-(4-fluorophenyl)-2-morpholin-4-ylacetamide

C16H20FN5O2 — CID 110244382

IUPACN-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-(4-fluorophenyl)-2-morpholin-4-ylacetamide
SMILESCc1nc(NC(=O)C(c2ccc(F)cc2)N2CCOCC2)nn1C
InChIInChI=1S/C16H20FN5O2/c1-11-18-16(20-21(11)2)19-15(23)14(22-7-9-24-10-8-22)12-3-5-13(17)6-4-12/h3-6,14H,7-10H2,1-2H3,(H,19,20,23)
InChIKeyJOCKOSVPQKFPEI-UHFFFAOYSA-N
MW333.37 g/mol
LogP1.27
Rot. Bonds4

About N-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-(4-fluorophenyl)-2-morpholin-4-ylacetamide

N-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-(4-fluorophenyl)-2-morpholin-4-ylacetamide (PubChem CID 110244382) has the molecular formula C16H20FN5O2 and a molecular weight of 333.37 g/mol. Its IUPAC name is N-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-(4-fluorophenyl)-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-(4-fluorophenyl)-2-morpholin-4-ylacetamide
PubChem CID110244382
Molecular FormulaC16H20FN5O2
Molecular Weight333.37 g/mol
Exact Mass333.16
IUPAC NameN-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-(4-fluorophenyl)-2-morpholin-4-ylacetamide
SMILESCc1nc(NC(=O)C(c2ccc(F)cc2)N2CCOCC2)nn1C
InChIInChI=1S/C16H20FN5O2/c1-11-18-16(20-21(11)2)19-15(23)14(22-7-9-24-10-8-22)12-3-5-13(17)6-4-12/h3-6,14H,7-10H2,1-2H3,(H,19,20,23)
InChIKeyJOCKOSVPQKFPEI-UHFFFAOYSA-N
XLogP1.27
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenyl)-2-morpholin-4-ylacetamide
CID 93242397
(2S)-2-(4-chlorophenyl)-N-(2,6-dimethylphenyl)-2-morpholin-4-ylacetamide
CID 7279324
2-(4-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-morpholin-4-ylacetamide
CID 46974742
2-(4-fluorophenyl)-2-morpholin-4-yl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)acetamide
CID 46978510
2-(4-chlorophenyl)-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-2-morpholin-4-ylacetamide
CID 46977298
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpropanamide
CID 30334846
N-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 155916166
2-morpholin-4-yl-2-pyridin-4-ylacetohydrazide
CID 46318243
2-[4-(diethylamino)phenyl]-2-morpholin-4-ylacetic acid
CID 84751366
(2S)-2-(4-fluorophenyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-2-piperidin-1-ylacetamide
CID 124728340
(2S)-2-(4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid
CID 97135011
4-[bis(4-fluorophenyl)methyl]morpholine
CID 25146239

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-(4-fluorophenyl)-2-morpholin-4-ylacetamide?
The IUPAC name of N-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-(4-fluorophenyl)-2-morpholin-4-ylacetamide (CID 110244382) is N-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-(4-fluorophenyl)-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-(4-fluorophenyl)-2-morpholin-4-ylacetamide?
The canonical SMILES for N-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-(4-fluorophenyl)-2-morpholin-4-ylacetamide is Cc1nc(NC(=O)C(c2ccc(F)cc2)N2CCOCC2)nn1C.
What is the InChIKey of N-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-(4-fluorophenyl)-2-morpholin-4-ylacetamide?
The InChIKey is JOCKOSVPQKFPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5O2/c1-11-18-16(20-21(11)2)19-15(23)14(22-7-9-24-10-8-22)12-3-5-13(17)6-4-12/h3-6,14H,7-10H2,1-2H3,(H,19,20,23).
What are the key properties of N-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-(4-fluorophenyl)-2-morpholin-4-ylacetamide?
N-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-(4-fluorophenyl)-2-morpholin-4-ylacetamide has a molecular weight of 333.37 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-(4-fluorophenyl)-2-morpholin-4-ylacetamide is sourced from PubChem (CID 110244382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).