2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-N-(4-piperidin-1-ylphenyl)propanamide

C22H26N4O2 — CID 17488732

IUPAC2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-N-(4-piperidin-1-ylphenyl)propanamide
SMILESCc1nc2cc(NC(C)C(=O)Nc3ccc(N4CCCCC4)cc3)ccc2o1
InChIInChI=1S/C22H26N4O2/c1-15(23-18-8-11-21-20(14-18)24-16(2)28-21)22(27)25-17-6-9-19(10-7-17)26-12-4-3-5-13-26/h6-11,14-15,23H,3-5,12-13H2,1-2H3,(H,25,27)
InChIKeyBLQUOATVOJUPAZ-UHFFFAOYSA-N
MW378.48 g/mol
LogP4.57
Rot. Bonds5

About 2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-N-(4-piperidin-1-ylphenyl)propanamide

2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-N-(4-piperidin-1-ylphenyl)propanamide (PubChem CID 17488732) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-N-(4-piperidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-N-(4-piperidin-1-ylphenyl)propanamide
PubChem CID17488732
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-N-(4-piperidin-1-ylphenyl)propanamide
SMILESCc1nc2cc(NC(C)C(=O)Nc3ccc(N4CCCCC4)cc3)ccc2o1
InChIInChI=1S/C22H26N4O2/c1-15(23-18-8-11-21-20(14-18)24-16(2)28-21)22(27)25-17-6-9-19(10-7-17)26-12-4-3-5-13-26/h6-11,14-15,23H,3-5,12-13H2,1-2H3,(H,25,27)
InChIKeyBLQUOATVOJUPAZ-UHFFFAOYSA-N
XLogP4.57
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(4-methoxyphenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
CID 25349306
(2S)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-N-(4-sulfamoylphenyl)propanamide
CID 25342725
2-(4-acetamidoanilino)-N-(4-piperidin-1-ylphenyl)propanamide
CID 134062601
(2R)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 41042415
(2R)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
CID 40919410
(2R)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 31922526
(2R)-N-(3-chloro-4-fluorophenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
CID 25474428
2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 61274155
(2S)-N-(2,4-dichlorophenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
CID 25348758
2-bromo-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 107903105
(2S)-2-amino-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide
CID 61274361
(2R)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-N-(3-nitrophenyl)propanamide
CID 25473815

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-N-(4-piperidin-1-ylphenyl)propanamide?
The IUPAC name of 2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-N-(4-piperidin-1-ylphenyl)propanamide (CID 17488732) is 2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-N-(4-piperidin-1-ylphenyl)propanamide.
What is the SMILES notation for 2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-N-(4-piperidin-1-ylphenyl)propanamide?
The canonical SMILES for 2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-N-(4-piperidin-1-ylphenyl)propanamide is Cc1nc2cc(NC(C)C(=O)Nc3ccc(N4CCCCC4)cc3)ccc2o1.
What is the InChIKey of 2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-N-(4-piperidin-1-ylphenyl)propanamide?
The InChIKey is BLQUOATVOJUPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-15(23-18-8-11-21-20(14-18)24-16(2)28-21)22(27)25-17-6-9-19(10-7-17)26-12-4-3-5-13-26/h6-11,14-15,23H,3-5,12-13H2,1-2H3,(H,25,27).
What are the key properties of 2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-N-(4-piperidin-1-ylphenyl)propanamide?
2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-N-(4-piperidin-1-ylphenyl)propanamide has a molecular weight of 378.48 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-N-(4-piperidin-1-ylphenyl)propanamide is sourced from PubChem (CID 17488732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).