N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-5-(trifluoromethyl)thiophene-2-carboxamide

C16H16F3N3O3S — CID 53195409

IUPACN-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-5-(trifluoromethyl)thiophene-2-carboxamide
SMILESCc1oc(CNC(=O)c2ccc(C(F)(F)F)s2)nc1C(=O)N1CCCC1
InChIInChI=1S/C16H16F3N3O3S/c1-9-13(15(24)22-6-2-3-7-22)21-12(25-9)8-20-14(23)10-4-5-11(26-10)16(17,18)19/h4-5H,2-3,6-8H2,1H3,(H,20,23)
InChIKeyLSPLJXRMXODDSJ-UHFFFAOYSA-N
MW387.38 g/mol
LogP3.23
Rot. Bonds4

About N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-5-(trifluoromethyl)thiophene-2-carboxamide

N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-5-(trifluoromethyl)thiophene-2-carboxamide (PubChem CID 53195409) has the molecular formula C16H16F3N3O3S and a molecular weight of 387.38 g/mol. Its IUPAC name is N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-5-(trifluoromethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-5-(trifluoromethyl)thiophene-2-carboxamide
PubChem CID53195409
Molecular FormulaC16H16F3N3O3S
Molecular Weight387.38 g/mol
Exact Mass387.09
IUPAC NameN-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-5-(trifluoromethyl)thiophene-2-carboxamide
SMILESCc1oc(CNC(=O)c2ccc(C(F)(F)F)s2)nc1C(=O)N1CCCC1
InChIInChI=1S/C16H16F3N3O3S/c1-9-13(15(24)22-6-2-3-7-22)21-12(25-9)8-20-14(23)10-4-5-11(26-10)16(17,18)19/h4-5H,2-3,6-8H2,1H3,(H,20,23)
InChIKeyLSPLJXRMXODDSJ-UHFFFAOYSA-N
XLogP3.23
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-5-(trifluoromethyl)thiophene-2-carboxamide?
The IUPAC name of N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-5-(trifluoromethyl)thiophene-2-carboxamide (CID 53195409) is N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-5-(trifluoromethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-5-(trifluoromethyl)thiophene-2-carboxamide?
The canonical SMILES for N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-5-(trifluoromethyl)thiophene-2-carboxamide is Cc1oc(CNC(=O)c2ccc(C(F)(F)F)s2)nc1C(=O)N1CCCC1.
What is the InChIKey of N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-5-(trifluoromethyl)thiophene-2-carboxamide?
The InChIKey is LSPLJXRMXODDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O3S/c1-9-13(15(24)22-6-2-3-7-22)21-12(25-9)8-20-14(23)10-4-5-11(26-10)16(17,18)19/h4-5H,2-3,6-8H2,1H3,(H,20,23).
What are the key properties of N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-5-(trifluoromethyl)thiophene-2-carboxamide?
N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-5-(trifluoromethyl)thiophene-2-carboxamide has a molecular weight of 387.38 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-5-(trifluoromethyl)thiophene-2-carboxamide is sourced from PubChem (CID 53195409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).