5-methyl-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide

C21H19F3N4O3 — CID 155949871

IUPAC5-methyl-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1cccc(NC(=O)CCNC(=O)c2c(-c3ccc(C(F)(F)F)cc3)noc2C)n1
InChIInChI=1S/C21H19F3N4O3/c1-12-4-3-5-16(26-12)27-17(29)10-11-25-20(30)18-13(2)31-28-19(18)14-6-8-15(9-7-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,25,30)(H,26,27,29)
InChIKeyACOZPNAFCCPMSB-UHFFFAOYSA-N
MW432.40 g/mol
LogP4.13
Rot. Bonds6

About 5-methyl-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide

5-methyl-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 155949871) has the molecular formula C21H19F3N4O3 and a molecular weight of 432.40 g/mol. Its IUPAC name is 5-methyl-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
PubChem CID155949871
Molecular FormulaC21H19F3N4O3
Molecular Weight432.40 g/mol
Exact Mass432.14
IUPAC Name5-methyl-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1cccc(NC(=O)CCNC(=O)c2c(-c3ccc(C(F)(F)F)cc3)noc2C)n1
InChIInChI=1S/C21H19F3N4O3/c1-12-4-3-5-16(26-12)27-17(29)10-11-25-20(30)18-13(2)31-28-19(18)14-6-8-15(9-7-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,25,30)(H,26,27,29)
InChIKeyACOZPNAFCCPMSB-UHFFFAOYSA-N
XLogP4.13
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.40
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethylcarbamoylamino)propanamide
CID 86861206
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CID 91945754
N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
CID 99627658
N-[2-[(4-methoxybenzoyl)amino]ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 60532703
5-methyl-3-phenyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
CID 1223086
3-(2-chloro-6-fluorophenyl)-5-methyl-N'-[4-(trifluoromethyl)benzoyl]-1,2-oxazole-4-carbohydrazide
CID 2814674
N,5-dimethyl-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide
CID 31619587
N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 47076327
3-[[N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N'-methylcarbamimidoyl]amino]-N-(6-methyl-2-pyridinyl)propanamide
CID 109431233
N-(6-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 17396525
N-[2-(4-fluorophenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 831462
5-methyl-3-phenyl-N-[5-[(2-sulfanylacetyl)amino]pentyl]-1,2-oxazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide (CID 155949871) is 5-methyl-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide is Cc1cccc(NC(=O)CCNC(=O)c2c(-c3ccc(C(F)(F)F)cc3)noc2C)n1.
What is the InChIKey of 5-methyl-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is ACOZPNAFCCPMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O3/c1-12-4-3-5-16(26-12)27-17(29)10-11-25-20(30)18-13(2)31-28-19(18)14-6-8-15(9-7-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,25,30)(H,26,27,29).
What are the key properties of 5-methyl-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
5-methyl-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 432.40 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 155949871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).