N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide

C15H14ClF3N4O2 — CID 127458537

IUPACN-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NC1CCN(c2ncc(C(F)(F)F)cc2Cl)C1
InChIInChI=1S/C15H14ClF3N4O2/c1-8-12(25-7-21-8)14(24)22-10-2-3-23(6-10)13-11(16)4-9(5-20-13)15(17,18)19/h4-5,7,10H,2-3,6H2,1H3,(H,22,24)
InChIKeyAGOMYJLQVRIHTR-UHFFFAOYSA-N
MW374.75 g/mol
LogP3.06
Rot. Bonds3

About N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide

N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 127458537) has the molecular formula C15H14ClF3N4O2 and a molecular weight of 374.75 g/mol. Its IUPAC name is N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID127458537
Molecular FormulaC15H14ClF3N4O2
Molecular Weight374.75 g/mol
Exact Mass374.08
IUPAC NameN-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NC1CCN(c2ncc(C(F)(F)F)cc2Cl)C1
InChIInChI=1S/C15H14ClF3N4O2/c1-8-12(25-7-21-8)14(24)22-10-2-3-23(6-10)13-11(16)4-9(5-20-13)15(17,18)19/h4-5,7,10H,2-3,6H2,1H3,(H,22,24)
InChIKeyAGOMYJLQVRIHTR-UHFFFAOYSA-N
XLogP3.06
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.75
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide (CID 127458537) is N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)NC1CCN(c2ncc(C(F)(F)F)cc2Cl)C1.
What is the InChIKey of N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is AGOMYJLQVRIHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF3N4O2/c1-8-12(25-7-21-8)14(24)22-10-2-3-23(6-10)13-11(16)4-9(5-20-13)15(17,18)19/h4-5,7,10H,2-3,6H2,1H3,(H,22,24).
What are the key properties of N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide?
N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 374.75 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 127458537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).