(2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-1-carboxamide

C15H21N5O2 — CID 94060177

IUPAC(2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-1-carboxamide
SMILESCc1cc([C@H]2CCCN2C(=O)NCCCn2cccn2)on1
InChIInChI=1S/C15H21N5O2/c1-12-11-14(22-18-12)13-5-2-10-20(13)15(21)16-6-3-8-19-9-4-7-17-19/h4,7,9,11,13H,2-3,5-6,8,10H2,1H3,(H,16,21)/t13-/m1/s1
InChIKeyBGNSIRUYXKSBLF-CYBMUJFWSA-N
MW303.37 g/mol
LogP2.12
Rot. Bonds5

About (2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-1-carboxamide

(2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-1-carboxamide (PubChem CID 94060177) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is (2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-1-carboxamide
PubChem CID94060177
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name(2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-1-carboxamide
SMILESCc1cc([C@H]2CCCN2C(=O)NCCCn2cccn2)on1
InChIInChI=1S/C15H21N5O2/c1-12-11-14(22-18-12)13-5-2-10-20(13)15(21)16-6-3-8-19-9-4-7-17-19/h4,7,9,11,13H,2-3,5-6,8,10H2,1H3,(H,16,21)/t13-/m1/s1
InChIKeyBGNSIRUYXKSBLF-CYBMUJFWSA-N
XLogP2.12
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-1-carboxamide
CID 94121216
(2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]pyrrolidine-1-carboxamide
CID 94099341
N-(1-ethylpyrazol-4-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 75461427
(2S)-2-(3-methyl-1,2-oxazol-5-yl)-N-prop-2-ynylpyrrolidine-1-carboxamide
CID 95976030
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 122564752
(2S)-2-(4-ethoxyphenyl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-1-carboxamide
CID 94030721
(2R)-N-(3-pyrazol-1-ylpropyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 94030715
(2S)-N-[(5-ethylthiophen-2-yl)methyl]-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 94119106
3-methyl-1-(3-pyrazol-1-ylpropylcarbamoyl)piperidine-2-carboxylic acid
CID 107071854
(2R)-N-[(2-ethoxy-3-pyridinyl)methyl]-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 94171868
(2S)-N-(2-ethylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 94139767
(2S)-2-(3-methyl-1,2-oxazol-5-yl)-N-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-1-carboxamide
CID 94115894

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-1-carboxamide (CID 94060177) is (2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-1-carboxamide is Cc1cc([C@H]2CCCN2C(=O)NCCCn2cccn2)on1.
What is the InChIKey of (2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-1-carboxamide?
The InChIKey is BGNSIRUYXKSBLF-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-12-11-14(22-18-12)13-5-2-10-20(13)15(21)16-6-3-8-19-9-4-7-17-19/h4,7,9,11,13H,2-3,5-6,8,10H2,1H3,(H,16,21)/t13-/m1/s1.
What are the key properties of (2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-1-carboxamide?
(2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-1-carboxamide has a molecular weight of 303.37 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 94060177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).