5-methyl-N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]-1,2-oxazole-3-carboxamide

C16H17F3N4O2 — CID 71797104

IUPAC5-methyl-N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCCc2nc3c(c(C(F)(F)F)n2)CCCC3)no1
InChIInChI=1S/C16H17F3N4O2/c1-9-8-12(23-25-9)15(24)20-7-6-13-21-11-5-3-2-4-10(11)14(22-13)16(17,18)19/h8H,2-7H2,1H3,(H,20,24)
InChIKeyJTNDIQNUOZUXBV-UHFFFAOYSA-N
MW354.33 g/mol
LogP2.64
Rot. Bonds4

About 5-methyl-N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]-1,2-oxazole-3-carboxamide

5-methyl-N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 71797104) has the molecular formula C16H17F3N4O2 and a molecular weight of 354.33 g/mol. Its IUPAC name is 5-methyl-N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]-1,2-oxazole-3-carboxamide
PubChem CID71797104
Molecular FormulaC16H17F3N4O2
Molecular Weight354.33 g/mol
Exact Mass354.13
IUPAC Name5-methyl-N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCCc2nc3c(c(C(F)(F)F)n2)CCCC3)no1
InChIInChI=1S/C16H17F3N4O2/c1-9-8-12(23-25-9)15(24)20-7-6-13-21-11-5-3-2-4-10(11)14(22-13)16(17,18)19/h8H,2-7H2,1H3,(H,20,24)
InChIKeyJTNDIQNUOZUXBV-UHFFFAOYSA-N
XLogP2.64
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]-1,2-oxazole-3-carboxamide (CID 71797104) is 5-methyl-N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NCCc2nc3c(c(C(F)(F)F)n2)CCCC3)no1.
What is the InChIKey of 5-methyl-N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is JTNDIQNUOZUXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O2/c1-9-8-12(23-25-9)15(24)20-7-6-13-21-11-5-3-2-4-10(11)14(22-13)16(17,18)19/h8H,2-7H2,1H3,(H,20,24).
What are the key properties of 5-methyl-N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 354.33 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 71797104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).