N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide

C16H23N5O2 — CID 71865729

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
SMILESCc1noc(C)c1CNC(=O)N1CCC(Cc2cnn(C)c2)C1
InChIInChI=1S/C16H23N5O2/c1-11-15(12(2)23-19-11)8-17-16(22)21-5-4-13(10-21)6-14-7-18-20(3)9-14/h7,9,13H,4-6,8,10H2,1-3H3,(H,17,22)
InChIKeyRTZCKXKYOQJNJU-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.80
Rot. Bonds4

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide (PubChem CID 71865729) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
PubChem CID71865729
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
SMILESCc1noc(C)c1CNC(=O)N1CCC(Cc2cnn(C)c2)C1
InChIInChI=1S/C16H23N5O2/c1-11-15(12(2)23-19-11)8-17-16(22)21-5-4-13(10-21)6-14-7-18-20(3)9-14/h7,9,13H,4-6,8,10H2,1-3H3,(H,17,22)
InChIKeyRTZCKXKYOQJNJU-UHFFFAOYSA-N
XLogP1.80
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide (CID 71865729) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide is Cc1noc(C)c1CNC(=O)N1CCC(Cc2cnn(C)c2)C1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is RTZCKXKYOQJNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-11-15(12(2)23-19-11)8-17-16(22)21-5-4-13(10-21)6-14-7-18-20(3)9-14/h7,9,13H,4-6,8,10H2,1-3H3,(H,17,22).
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 71865729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).