N-(3-acetamido-1,2-oxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]pyrazolidine-1-carboxamide

C16H16F3N5O3 — CID 164536742

IUPACN-(3-acetamido-1,2-oxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]pyrazolidine-1-carboxamide
SMILESCC(=O)Nc1cc(NC(=O)N2CCCN2c2ccc(C(F)(F)F)cc2)on1
InChIInChI=1S/C16H16F3N5O3/c1-10(25)20-13-9-14(27-22-13)21-15(26)24-8-2-7-23(24)12-5-3-11(4-6-12)16(17,18)19/h3-6,9H,2,7-8H2,1H3,(H,21,26)(H,20,22,25)
InChIKeyGKVOSCINSQSNIS-UHFFFAOYSA-N
MW383.33 g/mol
LogP3.31
Rot. Bonds3

About N-(3-acetamido-1,2-oxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]pyrazolidine-1-carboxamide

N-(3-acetamido-1,2-oxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]pyrazolidine-1-carboxamide (PubChem CID 164536742) has the molecular formula C16H16F3N5O3 and a molecular weight of 383.33 g/mol. Its IUPAC name is N-(3-acetamido-1,2-oxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]pyrazolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-acetamido-1,2-oxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]pyrazolidine-1-carboxamide
PubChem CID164536742
Molecular FormulaC16H16F3N5O3
Molecular Weight383.33 g/mol
Exact Mass383.12
IUPAC NameN-(3-acetamido-1,2-oxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]pyrazolidine-1-carboxamide
SMILESCC(=O)Nc1cc(NC(=O)N2CCCN2c2ccc(C(F)(F)F)cc2)on1
InChIInChI=1S/C16H16F3N5O3/c1-10(25)20-13-9-14(27-22-13)21-15(26)24-8-2-7-23(24)12-5-3-11(4-6-12)16(17,18)19/h3-6,9H,2,7-8H2,1H3,(H,21,26)(H,20,22,25)
InChIKeyGKVOSCINSQSNIS-UHFFFAOYSA-N
XLogP3.31
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.33
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-1,2-oxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]pyrazolidine-1-carboxamide?
The IUPAC name of N-(3-acetamido-1,2-oxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]pyrazolidine-1-carboxamide (CID 164536742) is N-(3-acetamido-1,2-oxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]pyrazolidine-1-carboxamide.
What is the SMILES notation for N-(3-acetamido-1,2-oxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]pyrazolidine-1-carboxamide?
The canonical SMILES for N-(3-acetamido-1,2-oxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]pyrazolidine-1-carboxamide is CC(=O)Nc1cc(NC(=O)N2CCCN2c2ccc(C(F)(F)F)cc2)on1.
What is the InChIKey of N-(3-acetamido-1,2-oxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]pyrazolidine-1-carboxamide?
The InChIKey is GKVOSCINSQSNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N5O3/c1-10(25)20-13-9-14(27-22-13)21-15(26)24-8-2-7-23(24)12-5-3-11(4-6-12)16(17,18)19/h3-6,9H,2,7-8H2,1H3,(H,21,26)(H,20,22,25).
What are the key properties of N-(3-acetamido-1,2-oxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]pyrazolidine-1-carboxamide?
N-(3-acetamido-1,2-oxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]pyrazolidine-1-carboxamide has a molecular weight of 383.33 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-1,2-oxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]pyrazolidine-1-carboxamide is sourced from PubChem (CID 164536742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).