N-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide

C14H16F3N5O2 — CID 136567991

IUPACN-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide
SMILESO=C(NCc1cnc2n1CCOC2)c1cnn(CCC(F)(F)F)c1
InChIInChI=1S/C14H16F3N5O2/c15-14(16,17)1-2-21-8-10(5-20-21)13(23)19-7-11-6-18-12-9-24-4-3-22(11)12/h5-6,8H,1-4,7,9H2,(H,19,23)
InChIKeyDGNBQGMHHBFJPW-UHFFFAOYSA-N
MW343.31 g/mol
LogP1.49
Rot. Bonds5

About N-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide

N-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide (PubChem CID 136567991) has the molecular formula C14H16F3N5O2 and a molecular weight of 343.31 g/mol. Its IUPAC name is N-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide
PubChem CID136567991
Molecular FormulaC14H16F3N5O2
Molecular Weight343.31 g/mol
Exact Mass343.13
IUPAC NameN-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide
SMILESO=C(NCc1cnc2n1CCOC2)c1cnn(CCC(F)(F)F)c1
InChIInChI=1S/C14H16F3N5O2/c15-14(16,17)1-2-21-8-10(5-20-21)13(23)19-7-11-6-18-12-9-24-4-3-22(11)12/h5-6,8H,1-4,7,9H2,(H,19,23)
InChIKeyDGNBQGMHHBFJPW-UHFFFAOYSA-N
XLogP1.49
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide?
The IUPAC name of N-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide (CID 136567991) is N-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide is O=C(NCc1cnc2n1CCOC2)c1cnn(CCC(F)(F)F)c1.
What is the InChIKey of N-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide?
The InChIKey is DGNBQGMHHBFJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O2/c15-14(16,17)1-2-21-8-10(5-20-21)13(23)19-7-11-6-18-12-9-24-4-3-22(11)12/h5-6,8H,1-4,7,9H2,(H,19,23).
What are the key properties of N-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide?
N-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide has a molecular weight of 343.31 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 136567991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).