(2R)-2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide

C21H27N5O2 — CID 37078163

IUPAC(2R)-2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
SMILESCC(C)n1nccc1NC(=O)[C@@H](C)N1CCC[C@@H](c2nc3ccccc3o2)C1
InChIInChI=1S/C21H27N5O2/c1-14(2)26-19(10-11-22-26)24-20(27)15(3)25-12-6-7-16(13-25)21-23-17-8-4-5-9-18(17)28-21/h4-5,8-11,14-16H,6-7,12-13H2,1-3H3,(H,24,27)/t15-,16-/m1/s1
InChIKeyGBOQWJWPSMDCHX-HZPDHXFCSA-N
MW381.48 g/mol
LogP3.81
Rot. Bonds5

About (2R)-2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide

(2R)-2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide (PubChem CID 37078163) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is (2R)-2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
PubChem CID37078163
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name(2R)-2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
SMILESCC(C)n1nccc1NC(=O)[C@@H](C)N1CCC[C@@H](c2nc3ccccc3o2)C1
InChIInChI=1S/C21H27N5O2/c1-14(2)26-19(10-11-22-26)24-20(27)15(3)25-12-6-7-16(13-25)21-23-17-8-4-5-9-18(17)28-21/h4-5,8-11,14-16H,6-7,12-13H2,1-3H3,(H,24,27)/t15-,16-/m1/s1
InChIKeyGBOQWJWPSMDCHX-HZPDHXFCSA-N
XLogP3.81
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The IUPAC name of (2R)-2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide (CID 37078163) is (2R)-2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide.
What is the SMILES notation for (2R)-2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The canonical SMILES for (2R)-2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide is CC(C)n1nccc1NC(=O)[C@@H](C)N1CCC[C@@H](c2nc3ccccc3o2)C1.
What is the InChIKey of (2R)-2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The InChIKey is GBOQWJWPSMDCHX-HZPDHXFCSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-14(2)26-19(10-11-22-26)24-20(27)15(3)25-12-6-7-16(13-25)21-23-17-8-4-5-9-18(17)28-21/h4-5,8-11,14-16H,6-7,12-13H2,1-3H3,(H,24,27)/t15-,16-/m1/s1.
What are the key properties of (2R)-2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
(2R)-2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide has a molecular weight of 381.48 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide is sourced from PubChem (CID 37078163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).