2-(3-methyl-1,2-oxazol-5-yl)-N-(1-phenyl-3-propan-2-ylpyrazol-5-yl)pyrrolidine-1-carboxamide

C21H25N5O2 — CID 74242348

IUPAC2-(3-methyl-1,2-oxazol-5-yl)-N-(1-phenyl-3-propan-2-ylpyrazol-5-yl)pyrrolidine-1-carboxamide
SMILESCc1cc(C2CCCN2C(=O)Nc2cc(C(C)C)nn2-c2ccccc2)on1
InChIInChI=1S/C21H25N5O2/c1-14(2)17-13-20(26(23-17)16-8-5-4-6-9-16)22-21(27)25-11-7-10-18(25)19-12-15(3)24-28-19/h4-6,8-9,12-14,18H,7,10-11H2,1-3H3,(H,22,27)
InChIKeyTZCHODLGVBBWSP-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.66
Rot. Bonds4

About 2-(3-methyl-1,2-oxazol-5-yl)-N-(1-phenyl-3-propan-2-ylpyrazol-5-yl)pyrrolidine-1-carboxamide

2-(3-methyl-1,2-oxazol-5-yl)-N-(1-phenyl-3-propan-2-ylpyrazol-5-yl)pyrrolidine-1-carboxamide (PubChem CID 74242348) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-(3-methyl-1,2-oxazol-5-yl)-N-(1-phenyl-3-propan-2-ylpyrazol-5-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(3-methyl-1,2-oxazol-5-yl)-N-(1-phenyl-3-propan-2-ylpyrazol-5-yl)pyrrolidine-1-carboxamide
PubChem CID74242348
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name2-(3-methyl-1,2-oxazol-5-yl)-N-(1-phenyl-3-propan-2-ylpyrazol-5-yl)pyrrolidine-1-carboxamide
SMILESCc1cc(C2CCCN2C(=O)Nc2cc(C(C)C)nn2-c2ccccc2)on1
InChIInChI=1S/C21H25N5O2/c1-14(2)17-13-20(26(23-17)16-8-5-4-6-9-16)22-21(27)25-11-7-10-18(25)19-12-15(3)24-28-19/h4-6,8-9,12-14,18H,7,10-11H2,1-3H3,(H,22,27)
InChIKeyTZCHODLGVBBWSP-UHFFFAOYSA-N
XLogP4.66
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,2-oxazol-5-yl)-N-(1-phenyl-3-propan-2-ylpyrazol-5-yl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-(3-methyl-1,2-oxazol-5-yl)-N-(1-phenyl-3-propan-2-ylpyrazol-5-yl)pyrrolidine-1-carboxamide (CID 74242348) is 2-(3-methyl-1,2-oxazol-5-yl)-N-(1-phenyl-3-propan-2-ylpyrazol-5-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(3-methyl-1,2-oxazol-5-yl)-N-(1-phenyl-3-propan-2-ylpyrazol-5-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(3-methyl-1,2-oxazol-5-yl)-N-(1-phenyl-3-propan-2-ylpyrazol-5-yl)pyrrolidine-1-carboxamide is Cc1cc(C2CCCN2C(=O)Nc2cc(C(C)C)nn2-c2ccccc2)on1.
What is the InChIKey of 2-(3-methyl-1,2-oxazol-5-yl)-N-(1-phenyl-3-propan-2-ylpyrazol-5-yl)pyrrolidine-1-carboxamide?
The InChIKey is TZCHODLGVBBWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-14(2)17-13-20(26(23-17)16-8-5-4-6-9-16)22-21(27)25-11-7-10-18(25)19-12-15(3)24-28-19/h4-6,8-9,12-14,18H,7,10-11H2,1-3H3,(H,22,27).
What are the key properties of 2-(3-methyl-1,2-oxazol-5-yl)-N-(1-phenyl-3-propan-2-ylpyrazol-5-yl)pyrrolidine-1-carboxamide?
2-(3-methyl-1,2-oxazol-5-yl)-N-(1-phenyl-3-propan-2-ylpyrazol-5-yl)pyrrolidine-1-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,2-oxazol-5-yl)-N-(1-phenyl-3-propan-2-ylpyrazol-5-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 74242348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).