N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide

C16H20F3N3O3 — CID 128893893

IUPACN-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESCn1cc([C@@H]2OCC[C@H]2NC(=O)C2C3CCC(O3)C2C(F)(F)F)cn1
InChIInChI=1S/C16H20F3N3O3/c1-22-7-8(6-20-22)14-9(4-5-24-14)21-15(23)12-10-2-3-11(25-10)13(12)16(17,18)19/h6-7,9-14H,2-5H2,1H3,(H,21,23)/t9-,10?,11?,12?,13?,14+/m1/s1
InChIKeyGLOVDVZORWWJAP-CZNSWMHUSA-N
MW359.35 g/mol
LogP1.72
Rot. Bonds3

About N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide

N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 128893893) has the molecular formula C16H20F3N3O3 and a molecular weight of 359.35 g/mol. Its IUPAC name is N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID128893893
Molecular FormulaC16H20F3N3O3
Molecular Weight359.35 g/mol
Exact Mass359.15
IUPAC NameN-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESCn1cc([C@@H]2OCC[C@H]2NC(=O)C2C3CCC(O3)C2C(F)(F)F)cn1
InChIInChI=1S/C16H20F3N3O3/c1-22-7-8(6-20-22)14-9(4-5-24-14)21-15(23)12-10-2-3-11(25-10)13(12)16(17,18)19/h6-7,9-14H,2-5H2,1H3,(H,21,23)/t9-,10?,11?,12?,13?,14+/m1/s1
InChIKeyGLOVDVZORWWJAP-CZNSWMHUSA-N
XLogP1.72
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-(trifluoromethyl)adamantane-1-carboxamide
CID 128893830
4,4-difluoro-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]cyclohexane-1-carboxamide
CID 128993483
2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]acetamide
CID 129006241
3-(2,2-difluoroethoxy)-N-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]propanamide
CID 132388712
(2S,3S)-N-(2,2-difluoropropyl)-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxamide
CID 137980549
(2S,3S)-2-(1-ethylpyrazol-4-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]oxolane-3-carboxamide
CID 138000703
N-[2,2-dimethyl-1-(1-methylpyrazol-4-yl)propyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 71865306
(1R,2R,4R)-N-[(1S)-2,2-dimethyl-1-(1-methylpyrazol-4-yl)propyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 98775595
(1R,2S,4R)-N-[(1S)-2,2-dimethyl-1-(1-methylpyrazol-4-yl)propyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 98775596
(1R,2S,4R)-N-[(1R)-2,2-dimethyl-1-(1-methylpyrazol-4-yl)propyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 124865852
(1R,2R,4R)-N-[(1R)-2,2-dimethyl-1-(1-methylpyrazol-4-yl)propyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 124865853
N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-2-(1-hydroxycyclopentyl)acetamide
CID 128970214

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide (CID 128893893) is N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide is Cn1cc([C@@H]2OCC[C@H]2NC(=O)C2C3CCC(O3)C2C(F)(F)F)cn1.
What is the InChIKey of N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is GLOVDVZORWWJAP-CZNSWMHUSA-N. The full InChI is InChI=1S/C16H20F3N3O3/c1-22-7-8(6-20-22)14-9(4-5-24-14)21-15(23)12-10-2-3-11(25-10)13(12)16(17,18)19/h6-7,9-14H,2-5H2,1H3,(H,21,23)/t9-,10?,11?,12?,13?,14+/m1/s1.
What are the key properties of N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 359.35 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 128893893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).