(2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propanamide

C17H25N5O2 — CID 129425645

IUPAC(2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propanamide
SMILESCc1cc(NC(=O)[C@H](C)N2CCC[C@H]2c2c(C)nn(C)c2C)on1
InChIInChI=1S/C17H25N5O2/c1-10-9-15(24-20-10)18-17(23)13(4)22-8-6-7-14(22)16-11(2)19-21(5)12(16)3/h9,13-14H,6-8H2,1-5H3,(H,18,23)/t13-,14-/m0/s1
InChIKeyRYZLGBJWLCVNGP-KBPBESRZSA-N
MW331.42 g/mol
LogP2.50
Rot. Bonds4

About (2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propanamide

(2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propanamide (PubChem CID 129425645) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is (2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propanamide
PubChem CID129425645
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name(2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propanamide
SMILESCc1cc(NC(=O)[C@H](C)N2CCC[C@H]2c2c(C)nn(C)c2C)on1
InChIInChI=1S/C17H25N5O2/c1-10-9-15(24-20-10)18-17(23)13(4)22-8-6-7-14(22)16-11(2)19-21(5)12(16)3/h9,13-14H,6-8H2,1-5H3,(H,18,23)/t13-,14-/m0/s1
InChIKeyRYZLGBJWLCVNGP-KBPBESRZSA-N
XLogP2.50
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propanamide?
The IUPAC name of (2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propanamide (CID 129425645) is (2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propanamide is Cc1cc(NC(=O)[C@H](C)N2CCC[C@H]2c2c(C)nn(C)c2C)on1.
What is the InChIKey of (2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propanamide?
The InChIKey is RYZLGBJWLCVNGP-KBPBESRZSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-10-9-15(24-20-10)18-17(23)13(4)22-8-6-7-14(22)16-11(2)19-21(5)12(16)3/h9,13-14H,6-8H2,1-5H3,(H,18,23)/t13-,14-/m0/s1.
What are the key properties of (2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propanamide?
(2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propanamide has a molecular weight of 331.42 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 129425645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).