N-[(3R)-2-oxopyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole-5-carboxamide

C19H14F3N3O3 — CID 97280400

IUPACN-[(3R)-2-oxopyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole-5-carboxamide
SMILESO=C(N[C@@H]1CCNC1=O)c1ccc2oc(-c3ccc(C(F)(F)F)cc3)nc2c1
InChIInChI=1S/C19H14F3N3O3/c20-19(21,22)12-4-1-10(2-5-12)18-25-14-9-11(3-6-15(14)28-18)16(26)24-13-7-8-23-17(13)27/h1-6,9,13H,7-8H2,(H,23,27)(H,24,26)/t13-/m1/s1
InChIKeyIZTDBWIOQICKRR-CYBMUJFWSA-N
MW389.33 g/mol
LogP3.13
Rot. Bonds3

About N-[(3R)-2-oxopyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole-5-carboxamide

N-[(3R)-2-oxopyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole-5-carboxamide (PubChem CID 97280400) has the molecular formula C19H14F3N3O3 and a molecular weight of 389.33 g/mol. Its IUPAC name is N-[(3R)-2-oxopyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3R)-2-oxopyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole-5-carboxamide
PubChem CID97280400
Molecular FormulaC19H14F3N3O3
Molecular Weight389.33 g/mol
Exact Mass389.10
IUPAC NameN-[(3R)-2-oxopyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole-5-carboxamide
SMILESO=C(N[C@@H]1CCNC1=O)c1ccc2oc(-c3ccc(C(F)(F)F)cc3)nc2c1
InChIInChI=1S/C19H14F3N3O3/c20-19(21,22)12-4-1-10(2-5-12)18-25-14-9-11(3-6-15(14)28-18)16(26)24-13-7-8-23-17(13)27/h1-6,9,13H,7-8H2,(H,23,27)(H,24,26)/t13-/m1/s1
InChIKeyIZTDBWIOQICKRR-CYBMUJFWSA-N
XLogP3.13
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.33
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-2-oxopyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole-5-carboxamide?
The IUPAC name of N-[(3R)-2-oxopyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole-5-carboxamide (CID 97280400) is N-[(3R)-2-oxopyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for N-[(3R)-2-oxopyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for N-[(3R)-2-oxopyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole-5-carboxamide is O=C(N[C@@H]1CCNC1=O)c1ccc2oc(-c3ccc(C(F)(F)F)cc3)nc2c1.
What is the InChIKey of N-[(3R)-2-oxopyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole-5-carboxamide?
The InChIKey is IZTDBWIOQICKRR-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H14F3N3O3/c20-19(21,22)12-4-1-10(2-5-12)18-25-14-9-11(3-6-15(14)28-18)16(26)24-13-7-8-23-17(13)27/h1-6,9,13H,7-8H2,(H,23,27)(H,24,26)/t13-/m1/s1.
What are the key properties of N-[(3R)-2-oxopyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole-5-carboxamide?
N-[(3R)-2-oxopyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole-5-carboxamide has a molecular weight of 389.33 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-2-oxopyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 97280400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).