N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

C12H12F3N5O2 — CID 154759451

IUPACN-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCc1nnc(CNC(=O)c2ncoc2C(F)(F)F)n1C1CC1
InChIInChI=1S/C12H12F3N5O2/c1-6-18-19-8(20(6)7-2-3-7)4-16-11(21)9-10(12(13,14)15)22-5-17-9/h5,7H,2-4H2,1H3,(H,16,21)
InChIKeyGNYHZONFMIGBBY-UHFFFAOYSA-N
MW315.26 g/mol
LogP1.86
Rot. Bonds4

About N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (PubChem CID 154759451) has the molecular formula C12H12F3N5O2 and a molecular weight of 315.26 g/mol. Its IUPAC name is N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
PubChem CID154759451
Molecular FormulaC12H12F3N5O2
Molecular Weight315.26 g/mol
Exact Mass315.09
IUPAC NameN-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCc1nnc(CNC(=O)c2ncoc2C(F)(F)F)n1C1CC1
InChIInChI=1S/C12H12F3N5O2/c1-6-18-19-8(20(6)7-2-3-7)4-16-11(21)9-10(12(13,14)15)22-5-17-9/h5,7H,2-4H2,1H3,(H,16,21)
InChIKeyGNYHZONFMIGBBY-UHFFFAOYSA-N
XLogP1.86
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.26
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 128974804
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 138034916
[2-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone
CID 166280661
5-ethyl-N-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-N-methyl-1,3-oxazole-4-carboxamide
CID 70711819
1-(4-cyclopropyl-5-{1-[(5-methyl-1,3-oxazol-4-yl)carbonyl]piperidin-4-yl}-4H-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine
CID 70745950
5-methyl-N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole-4-carboxamide
CID 86772347
N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-methyl-1,3-oxazole-4-carboxamide
CID 86772460
5-methyl-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole-4-carboxamide
CID 86772512
5-methyl-N-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide
CID 97845864
5-methyl-N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide
CID 97845865
N-[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-5-methyl-1,3-oxazole-4-carboxamide
CID 97846140
N-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-5-methyl-1,3-oxazole-4-carboxamide
CID 97846141

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (CID 154759451) is N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is Cc1nnc(CNC(=O)c2ncoc2C(F)(F)F)n1C1CC1.
What is the InChIKey of N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is GNYHZONFMIGBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N5O2/c1-6-18-19-8(20(6)7-2-3-7)4-16-11(21)9-10(12(13,14)15)22-5-17-9/h5,7H,2-4H2,1H3,(H,16,21).
What are the key properties of N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 315.26 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 154759451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).