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

C17H25N5O2 — CID 97018836

IUPAC(3S)-3-[(1-methylpyrazol-4-yl)methyl]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carboxamide
SMILESCC(C)c1cc(CNC(=O)N2CC[C@H](Cc3cnn(C)c3)C2)on1
InChIInChI=1S/C17H25N5O2/c1-12(2)16-7-15(24-20-16)9-18-17(23)22-5-4-13(11-22)6-14-8-19-21(3)10-14/h7-8,10,12-13H,4-6,9,11H2,1-3H3,(H,18,23)/t13-/m1/s1
InChIKeyURDDAJCXPSPVBT-CYBMUJFWSA-N
MW331.42 g/mol
LogP2.31
Rot. Bonds5

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

(3S)-3-[(1-methylpyrazol-4-yl)methyl]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carboxamide (PubChem CID 97018836) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is (3S)-3-[(1-methylpyrazol-4-yl)methyl]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-[(1-methylpyrazol-4-yl)methyl]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carboxamide
PubChem CID97018836
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name(3S)-3-[(1-methylpyrazol-4-yl)methyl]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carboxamide
SMILESCC(C)c1cc(CNC(=O)N2CC[C@H](Cc3cnn(C)c3)C2)on1
InChIInChI=1S/C17H25N5O2/c1-12(2)16-7-15(24-20-16)9-18-17(23)22-5-4-13(11-22)6-14-8-19-21(3)10-14/h7-8,10,12-13H,4-6,9,11H2,1-3H3,(H,18,23)/t13-/m1/s1
InChIKeyURDDAJCXPSPVBT-CYBMUJFWSA-N
XLogP2.31
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(1-methylpyrazol-4-yl)methyl]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-3-[(1-methylpyrazol-4-yl)methyl]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carboxamide (CID 97018836) is (3S)-3-[(1-methylpyrazol-4-yl)methyl]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-3-[(1-methylpyrazol-4-yl)methyl]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-3-[(1-methylpyrazol-4-yl)methyl]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carboxamide is CC(C)c1cc(CNC(=O)N2CC[C@H](Cc3cnn(C)c3)C2)on1.
What is the InChIKey of (3S)-3-[(1-methylpyrazol-4-yl)methyl]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is URDDAJCXPSPVBT-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-12(2)16-7-15(24-20-16)9-18-17(23)22-5-4-13(11-22)6-14-8-19-21(3)10-14/h7-8,10,12-13H,4-6,9,11H2,1-3H3,(H,18,23)/t13-/m1/s1.
What are the key properties of (3S)-3-[(1-methylpyrazol-4-yl)methyl]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carboxamide?
(3S)-3-[(1-methylpyrazol-4-yl)methyl]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(1-methylpyrazol-4-yl)methyl]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 97018836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).