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

C13H17F3N2O4 — CID 139011697

IUPACN-[(4-methoxyoxan-4-yl)methyl]-3-methyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide
SMILESCOC1(CNC(=O)c2c(C)noc2C(F)(F)F)CCOCC1
InChIInChI=1S/C13H17F3N2O4/c1-8-9(10(22-18-8)13(14,15)16)11(19)17-7-12(20-2)3-5-21-6-4-12/h3-7H2,1-2H3,(H,17,19)
InChIKeyUDYFMETXJPEZNR-UHFFFAOYSA-N
MW322.28 g/mol
LogP1.93
Rot. Bonds4

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

N-[(4-methoxyoxan-4-yl)methyl]-3-methyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide (PubChem CID 139011697) has the molecular formula C13H17F3N2O4 and a molecular weight of 322.28 g/mol. Its IUPAC name is N-[(4-methoxyoxan-4-yl)methyl]-3-methyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyoxan-4-yl)methyl]-3-methyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide
PubChem CID139011697
Molecular FormulaC13H17F3N2O4
Molecular Weight322.28 g/mol
Exact Mass322.11
IUPAC NameN-[(4-methoxyoxan-4-yl)methyl]-3-methyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide
SMILESCOC1(CNC(=O)c2c(C)noc2C(F)(F)F)CCOCC1
InChIInChI=1S/C13H17F3N2O4/c1-8-9(10(22-18-8)13(14,15)16)11(19)17-7-12(20-2)3-5-21-6-4-12/h3-7H2,1-2H3,(H,17,19)
InChIKeyUDYFMETXJPEZNR-UHFFFAOYSA-N
XLogP1.93
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyoxan-4-yl)methyl]-3-methyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(4-methoxyoxan-4-yl)methyl]-3-methyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide (CID 139011697) is N-[(4-methoxyoxan-4-yl)methyl]-3-methyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(4-methoxyoxan-4-yl)methyl]-3-methyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(4-methoxyoxan-4-yl)methyl]-3-methyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide is COC1(CNC(=O)c2c(C)noc2C(F)(F)F)CCOCC1.
What is the InChIKey of N-[(4-methoxyoxan-4-yl)methyl]-3-methyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is UDYFMETXJPEZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O4/c1-8-9(10(22-18-8)13(14,15)16)11(19)17-7-12(20-2)3-5-21-6-4-12/h3-7H2,1-2H3,(H,17,19).
What are the key properties of N-[(4-methoxyoxan-4-yl)methyl]-3-methyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide?
N-[(4-methoxyoxan-4-yl)methyl]-3-methyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide has a molecular weight of 322.28 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyoxan-4-yl)methyl]-3-methyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 139011697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).