(2S)-2-pyrazol-1-yl-N-[2-(trifluoromethyl)-1,3-benzoxazol-4-yl]propanamide

C14H11F3N4O2 — CID 97067698

IUPAC(2S)-2-pyrazol-1-yl-N-[2-(trifluoromethyl)-1,3-benzoxazol-4-yl]propanamide
SMILESC[C@@H](C(=O)Nc1cccc2oc(C(F)(F)F)nc12)n1cccn1
InChIInChI=1S/C14H11F3N4O2/c1-8(21-7-3-6-18-21)12(22)19-9-4-2-5-10-11(9)20-13(23-10)14(15,16)17/h2-8H,1H3,(H,19,22)/t8-/m0/s1
InChIKeyXHHKLOAHJNYUJV-QMMMGPOBSA-N
MW324.26 g/mol
LogP3.24
Rot. Bonds3

About (2S)-2-pyrazol-1-yl-N-[2-(trifluoromethyl)-1,3-benzoxazol-4-yl]propanamide

(2S)-2-pyrazol-1-yl-N-[2-(trifluoromethyl)-1,3-benzoxazol-4-yl]propanamide (PubChem CID 97067698) has the molecular formula C14H11F3N4O2 and a molecular weight of 324.26 g/mol. Its IUPAC name is (2S)-2-pyrazol-1-yl-N-[2-(trifluoromethyl)-1,3-benzoxazol-4-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-pyrazol-1-yl-N-[2-(trifluoromethyl)-1,3-benzoxazol-4-yl]propanamide
PubChem CID97067698
Molecular FormulaC14H11F3N4O2
Molecular Weight324.26 g/mol
Exact Mass324.08
IUPAC Name(2S)-2-pyrazol-1-yl-N-[2-(trifluoromethyl)-1,3-benzoxazol-4-yl]propanamide
SMILESC[C@@H](C(=O)Nc1cccc2oc(C(F)(F)F)nc12)n1cccn1
InChIInChI=1S/C14H11F3N4O2/c1-8(21-7-3-6-18-21)12(22)19-9-4-2-5-10-11(9)20-13(23-10)14(15,16)17/h2-8H,1H3,(H,19,22)/t8-/m0/s1
InChIKeyXHHKLOAHJNYUJV-QMMMGPOBSA-N
XLogP3.24
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-pyrazol-1-yl-N-[2-(trifluoromethyl)-1,3-benzoxazol-4-yl]propanamide?
The IUPAC name of (2S)-2-pyrazol-1-yl-N-[2-(trifluoromethyl)-1,3-benzoxazol-4-yl]propanamide (CID 97067698) is (2S)-2-pyrazol-1-yl-N-[2-(trifluoromethyl)-1,3-benzoxazol-4-yl]propanamide.
What is the SMILES notation for (2S)-2-pyrazol-1-yl-N-[2-(trifluoromethyl)-1,3-benzoxazol-4-yl]propanamide?
The canonical SMILES for (2S)-2-pyrazol-1-yl-N-[2-(trifluoromethyl)-1,3-benzoxazol-4-yl]propanamide is C[C@@H](C(=O)Nc1cccc2oc(C(F)(F)F)nc12)n1cccn1.
What is the InChIKey of (2S)-2-pyrazol-1-yl-N-[2-(trifluoromethyl)-1,3-benzoxazol-4-yl]propanamide?
The InChIKey is XHHKLOAHJNYUJV-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H11F3N4O2/c1-8(21-7-3-6-18-21)12(22)19-9-4-2-5-10-11(9)20-13(23-10)14(15,16)17/h2-8H,1H3,(H,19,22)/t8-/m0/s1.
What are the key properties of (2S)-2-pyrazol-1-yl-N-[2-(trifluoromethyl)-1,3-benzoxazol-4-yl]propanamide?
(2S)-2-pyrazol-1-yl-N-[2-(trifluoromethyl)-1,3-benzoxazol-4-yl]propanamide has a molecular weight of 324.26 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-pyrazol-1-yl-N-[2-(trifluoromethyl)-1,3-benzoxazol-4-yl]propanamide is sourced from PubChem (CID 97067698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).