2-(3-methyl-1,2-oxazol-5-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-1-carboxamide

C18H24N4O3 — CID 51084609

IUPAC2-(3-methyl-1,2-oxazol-5-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-1-carboxamide
SMILESCc1cc(C2CCCN2C(=O)NCc2cccnc2OC(C)C)on1
InChIInChI=1S/C18H24N4O3/c1-12(2)24-17-14(6-4-8-19-17)11-20-18(23)22-9-5-7-15(22)16-10-13(3)21-25-16/h4,6,8,10,12,15H,5,7,9,11H2,1-3H3,(H,20,23)
InChIKeyGZVQZPHGJVBODS-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.21
Rot. Bonds5

About 2-(3-methyl-1,2-oxazol-5-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-1-carboxamide

2-(3-methyl-1,2-oxazol-5-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-1-carboxamide (PubChem CID 51084609) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-(3-methyl-1,2-oxazol-5-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(3-methyl-1,2-oxazol-5-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-1-carboxamide
PubChem CID51084609
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name2-(3-methyl-1,2-oxazol-5-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-1-carboxamide
SMILESCc1cc(C2CCCN2C(=O)NCc2cccnc2OC(C)C)on1
InChIInChI=1S/C18H24N4O3/c1-12(2)24-17-14(6-4-8-19-17)11-20-18(23)22-9-5-7-15(22)16-10-13(3)21-25-16/h4,6,8,10,12,15H,5,7,9,11H2,1-3H3,(H,20,23)
InChIKeyGZVQZPHGJVBODS-UHFFFAOYSA-N
XLogP3.21
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.21
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-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-(3-methyl-1,2-oxazol-5-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-1-carboxamide (CID 51084609) is 2-(3-methyl-1,2-oxazol-5-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(3-methyl-1,2-oxazol-5-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(3-methyl-1,2-oxazol-5-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-1-carboxamide is Cc1cc(C2CCCN2C(=O)NCc2cccnc2OC(C)C)on1.
What is the InChIKey of 2-(3-methyl-1,2-oxazol-5-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is GZVQZPHGJVBODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-12(2)24-17-14(6-4-8-19-17)11-20-18(23)22-9-5-7-15(22)16-10-13(3)21-25-16/h4,6,8,10,12,15H,5,7,9,11H2,1-3H3,(H,20,23).
What are the key properties of 2-(3-methyl-1,2-oxazol-5-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-1-carboxamide?
2-(3-methyl-1,2-oxazol-5-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 3.21, 5 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-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 51084609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).