2-[(2R)-4-(3,4-dihydro-2H-chromen-6-yl)-2-methylpiperazin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide

C23H24N4O5 — CID 25196007

IUPAC2-[(2R)-4-(3,4-dihydro-2H-chromen-6-yl)-2-methylpiperazin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
SMILESC[C@@H]1CN(c2ccc3c(c2)CCCO3)CCN1C(=O)C(=O)Nc1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C23H24N4O5/c1-14-13-26(17-5-7-19-15(11-17)3-2-10-31-19)8-9-27(14)22(29)21(28)24-16-4-6-18-20(12-16)32-23(30)25-18/h4-7,11-12,14H,2-3,8-10,13H2,1H3,(H,24,28)(H,25,30)/t14-/m1/s1
InChIKeyMYFRIJWGFULBQM-CQSZACIVSA-N
MW436.47 g/mol
LogP2.12
Rot. Bonds2

About 2-[(2R)-4-(3,4-dihydro-2H-chromen-6-yl)-2-methylpiperazin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide

2-[(2R)-4-(3,4-dihydro-2H-chromen-6-yl)-2-methylpiperazin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide (PubChem CID 25196007) has the molecular formula C23H24N4O5 and a molecular weight of 436.47 g/mol. Its IUPAC name is 2-[(2R)-4-(3,4-dihydro-2H-chromen-6-yl)-2-methylpiperazin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide.

Molecular Properties

Compound Name2-[(2R)-4-(3,4-dihydro-2H-chromen-6-yl)-2-methylpiperazin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
PubChem CID25196007
Molecular FormulaC23H24N4O5
Molecular Weight436.47 g/mol
Exact Mass436.17
IUPAC Name2-[(2R)-4-(3,4-dihydro-2H-chromen-6-yl)-2-methylpiperazin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
SMILESC[C@@H]1CN(c2ccc3c(c2)CCCO3)CCN1C(=O)C(=O)Nc1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C23H24N4O5/c1-14-13-26(17-5-7-19-15(11-17)3-2-10-31-19)8-9-27(14)22(29)21(28)24-16-4-6-18-20(12-16)32-23(30)25-18/h4-7,11-12,14H,2-3,8-10,13H2,1H3,(H,24,28)(H,25,30)/t14-/m1/s1
InChIKeyMYFRIJWGFULBQM-CQSZACIVSA-N
XLogP2.12
TPSA107.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[(2R)-4-(3,4-dihydro-2H-chromen-6-yl)-2-methylpiperazin-1-yl]-2-oxo-N-(2-oxo-3H-1-benzofuran-6-yl)acetamide
CID 58467550
2-[4-(4-fluoro-3-hydroxyphenyl)-2-methylpiperazin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 143532041
6-[[2-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]-2-oxoethyl]amino]-3H-1,3-benzoxazol-2-one
CID 143766650
6-[[2-[(2R)-4-(3,4-dihydro-2H-chromen-6-yl)-2-methylpiperazin-1-yl]-2-oxoethyl]amino]-3H-1-benzofuran-2-one
CID 58467560
6-[[2-[(2R)-4-(2,3-dihydro-1H-inden-5-yl)-2-methylpiperazin-1-yl]-2-oxoethyl]amino]-3H-1-benzofuran-2-one
CID 58467737
2-[(2R)-4-(4-chlorophenyl)-2-methylpiperazin-1-yl]-N-(1-methyl-2-oxo-3H-indol-6-yl)-2-oxoacetamide
CID 58467530
2-[(3R)-4-(4-chloro-3-methylphenyl)-3-ethynylpiperazin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 143766772
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 110616378
2-[1-(4-fluorophenyl)piperidin-4-yl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 25256884
ethyl 2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]acetate
CID 53304199
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 856809
1-tert-butyl-3-(3,4-dihydro-2H-chromen-6-yl)urea
CID 110748414

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-(3,4-dihydro-2H-chromen-6-yl)-2-methylpiperazin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide?
The IUPAC name of 2-[(2R)-4-(3,4-dihydro-2H-chromen-6-yl)-2-methylpiperazin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide (CID 25196007) is 2-[(2R)-4-(3,4-dihydro-2H-chromen-6-yl)-2-methylpiperazin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide.
What is the SMILES notation for 2-[(2R)-4-(3,4-dihydro-2H-chromen-6-yl)-2-methylpiperazin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide?
The canonical SMILES for 2-[(2R)-4-(3,4-dihydro-2H-chromen-6-yl)-2-methylpiperazin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide is C[C@@H]1CN(c2ccc3c(c2)CCCO3)CCN1C(=O)C(=O)Nc1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of 2-[(2R)-4-(3,4-dihydro-2H-chromen-6-yl)-2-methylpiperazin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide?
The InChIKey is MYFRIJWGFULBQM-CQSZACIVSA-N. The full InChI is InChI=1S/C23H24N4O5/c1-14-13-26(17-5-7-19-15(11-17)3-2-10-31-19)8-9-27(14)22(29)21(28)24-16-4-6-18-20(12-16)32-23(30)25-18/h4-7,11-12,14H,2-3,8-10,13H2,1H3,(H,24,28)(H,25,30)/t14-/m1/s1.
What are the key properties of 2-[(2R)-4-(3,4-dihydro-2H-chromen-6-yl)-2-methylpiperazin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide?
2-[(2R)-4-(3,4-dihydro-2H-chromen-6-yl)-2-methylpiperazin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide has a molecular weight of 436.47 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-(3,4-dihydro-2H-chromen-6-yl)-2-methylpiperazin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide is sourced from PubChem (CID 25196007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).