N-[[(4S)-8-(trifluoromethyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-2-carboxamide

C18H15F3N4O2 — CID 75410883

IUPACN-[[(4S)-8-(trifluoromethyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-2-carboxamide
SMILESO=C(NC[C@H]1COCc2nc3cc(C(F)(F)F)ccc3n21)c1ccccn1
InChIInChI=1S/C18H15F3N4O2/c19-18(20,21)11-4-5-15-14(7-11)24-16-10-27-9-12(25(15)16)8-23-17(26)13-3-1-2-6-22-13/h1-7,12H,8-10H2,(H,23,26)/t12-/m0/s1
InChIKeyHMAHOVOWXCXEQP-LBPRGKRZSA-N
MW376.34 g/mol
LogP2.95
Rot. Bonds3

About N-[[(4S)-8-(trifluoromethyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-2-carboxamide

N-[[(4S)-8-(trifluoromethyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-2-carboxamide (PubChem CID 75410883) has the molecular formula C18H15F3N4O2 and a molecular weight of 376.34 g/mol. Its IUPAC name is N-[[(4S)-8-(trifluoromethyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[(4S)-8-(trifluoromethyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-2-carboxamide
PubChem CID75410883
Molecular FormulaC18H15F3N4O2
Molecular Weight376.34 g/mol
Exact Mass376.11
IUPAC NameN-[[(4S)-8-(trifluoromethyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-2-carboxamide
SMILESO=C(NC[C@H]1COCc2nc3cc(C(F)(F)F)ccc3n21)c1ccccn1
InChIInChI=1S/C18H15F3N4O2/c19-18(20,21)11-4-5-15-14(7-11)24-16-10-27-9-12(25(15)16)8-23-17(26)13-3-1-2-6-22-13/h1-7,12H,8-10H2,(H,23,26)/t12-/m0/s1
InChIKeyHMAHOVOWXCXEQP-LBPRGKRZSA-N
XLogP2.95
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(4S)-8-(trifluoromethyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-2-carboxamide?
The IUPAC name of N-[[(4S)-8-(trifluoromethyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-2-carboxamide (CID 75410883) is N-[[(4S)-8-(trifluoromethyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[[(4S)-8-(trifluoromethyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[[(4S)-8-(trifluoromethyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-2-carboxamide is O=C(NC[C@H]1COCc2nc3cc(C(F)(F)F)ccc3n21)c1ccccn1.
What is the InChIKey of N-[[(4S)-8-(trifluoromethyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-2-carboxamide?
The InChIKey is HMAHOVOWXCXEQP-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H15F3N4O2/c19-18(20,21)11-4-5-15-14(7-11)24-16-10-27-9-12(25(15)16)8-23-17(26)13-3-1-2-6-22-13/h1-7,12H,8-10H2,(H,23,26)/t12-/m0/s1.
What are the key properties of N-[[(4S)-8-(trifluoromethyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-2-carboxamide?
N-[[(4S)-8-(trifluoromethyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-2-carboxamide has a molecular weight of 376.34 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4S)-8-(trifluoromethyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 75410883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).