5-pyrrolidin-2-yl-N-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonyl-1,3-oxazole-4-carboxamide

C16H14F3N5O4S — CID 167886484

IUPAC5-pyrrolidin-2-yl-N-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonyl-1,3-oxazole-4-carboxamide
SMILESO=C(NS(=O)(=O)c1ccc(C2(C(F)(F)F)N=N2)cc1)c1ncoc1C1CCCN1
InChIInChI=1S/C16H14F3N5O4S/c17-16(18,19)15(23-24-15)9-3-5-10(6-4-9)29(26,27)22-14(25)12-13(28-8-21-12)11-2-1-7-20-11/h3-6,8,11,20H,1-2,7H2,(H,22,25)
InChIKeySYKYGFCLYXGXAG-UHFFFAOYSA-N
MW429.38 g/mol
LogP2.40
Rot. Bonds5

About 5-pyrrolidin-2-yl-N-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonyl-1,3-oxazole-4-carboxamide

5-pyrrolidin-2-yl-N-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonyl-1,3-oxazole-4-carboxamide (PubChem CID 167886484) has the molecular formula C16H14F3N5O4S and a molecular weight of 429.38 g/mol. Its IUPAC name is 5-pyrrolidin-2-yl-N-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-pyrrolidin-2-yl-N-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonyl-1,3-oxazole-4-carboxamide
PubChem CID167886484
Molecular FormulaC16H14F3N5O4S
Molecular Weight429.38 g/mol
Exact Mass429.07
IUPAC Name5-pyrrolidin-2-yl-N-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonyl-1,3-oxazole-4-carboxamide
SMILESO=C(NS(=O)(=O)c1ccc(C2(C(F)(F)F)N=N2)cc1)c1ncoc1C1CCCN1
InChIInChI=1S/C16H14F3N5O4S/c17-16(18,19)15(23-24-15)9-3-5-10(6-4-9)29(26,27)22-14(25)12-13(28-8-21-12)11-2-1-7-20-11/h3-6,8,11,20H,1-2,7H2,(H,22,25)
InChIKeySYKYGFCLYXGXAG-UHFFFAOYSA-N
XLogP2.40
TPSA126.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.38
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-pyrrolidin-2-yl-N-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonyl-1,3-oxazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 167886483
N-[4-(aminosulfonyl)benzyl]-5-cyclopropyl-1,3-oxazole-4-carboxamide
CID 74239201
5-methyl-N-(3-{[(4-methylphenyl)sulfonyl]amino}propyl)-1,3-oxazole-4-carboxamide
CID 74245279
N-{2-[4-(aminosulfonyl)phenyl]ethyl}-5-cyclopropyl-1,3-oxazole-4-carboxamide
CID 74249264
N-[(1R)-1-phenylethyl]-5-[(2S)-pyrrolidin-2-yl]-1,3-oxazole-4-carboxamide
CID 122402400

Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-2-yl-N-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-pyrrolidin-2-yl-N-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonyl-1,3-oxazole-4-carboxamide (CID 167886484) is 5-pyrrolidin-2-yl-N-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-pyrrolidin-2-yl-N-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-pyrrolidin-2-yl-N-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonyl-1,3-oxazole-4-carboxamide is O=C(NS(=O)(=O)c1ccc(C2(C(F)(F)F)N=N2)cc1)c1ncoc1C1CCCN1.
What is the InChIKey of 5-pyrrolidin-2-yl-N-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonyl-1,3-oxazole-4-carboxamide?
The InChIKey is SYKYGFCLYXGXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5O4S/c17-16(18,19)15(23-24-15)9-3-5-10(6-4-9)29(26,27)22-14(25)12-13(28-8-21-12)11-2-1-7-20-11/h3-6,8,11,20H,1-2,7H2,(H,22,25).
What are the key properties of 5-pyrrolidin-2-yl-N-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonyl-1,3-oxazole-4-carboxamide?
5-pyrrolidin-2-yl-N-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonyl-1,3-oxazole-4-carboxamide has a molecular weight of 429.38 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-2-yl-N-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 167886484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).