N-hydroxy-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-2,3-dihydro-1,3-benzoxazole-5-carboxamide

C24H25N5O4 — CID 166668520

IUPACN-hydroxy-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-2,3-dihydro-1,3-benzoxazole-5-carboxamide
SMILESCOc1ccccc1N1CCN(c2ccc(C3Nc4cc(C(=O)NO)ccc4O3)cn2)CC1
InChIInChI=1S/C24H25N5O4/c1-32-21-5-3-2-4-19(21)28-10-12-29(13-11-28)22-9-7-17(15-25-22)24-26-18-14-16(23(30)27-31)6-8-20(18)33-24/h2-9,14-15,24,26,31H,10-13H2,1H3,(H,27,30)
InChIKeyKZSNUSIZERAXAC-UHFFFAOYSA-N
MW447.50 g/mol
LogP3.04
Rot. Bonds5

About N-hydroxy-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-2,3-dihydro-1,3-benzoxazole-5-carboxamide

N-hydroxy-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-2,3-dihydro-1,3-benzoxazole-5-carboxamide (PubChem CID 166668520) has the molecular formula C24H25N5O4 and a molecular weight of 447.50 g/mol. Its IUPAC name is N-hydroxy-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-2,3-dihydro-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-2,3-dihydro-1,3-benzoxazole-5-carboxamide
PubChem CID166668520
Molecular FormulaC24H25N5O4
Molecular Weight447.50 g/mol
Exact Mass447.19
IUPAC NameN-hydroxy-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-2,3-dihydro-1,3-benzoxazole-5-carboxamide
SMILESCOc1ccccc1N1CCN(c2ccc(C3Nc4cc(C(=O)NO)ccc4O3)cn2)CC1
InChIInChI=1S/C24H25N5O4/c1-32-21-5-3-2-4-19(21)28-10-12-29(13-11-28)22-9-7-17(15-25-22)24-26-18-14-16(23(30)27-31)6-8-20(18)33-24/h2-9,14-15,24,26,31H,10-13H2,1H3,(H,27,30)
InChIKeyKZSNUSIZERAXAC-UHFFFAOYSA-N
XLogP3.04
TPSA99.19 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-2,3-dihydro-1,3-benzoxazole-5-carboxamide?
The IUPAC name of N-hydroxy-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-2,3-dihydro-1,3-benzoxazole-5-carboxamide (CID 166668520) is N-hydroxy-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-2,3-dihydro-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-2,3-dihydro-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-2,3-dihydro-1,3-benzoxazole-5-carboxamide is COc1ccccc1N1CCN(c2ccc(C3Nc4cc(C(=O)NO)ccc4O3)cn2)CC1.
What is the InChIKey of N-hydroxy-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-2,3-dihydro-1,3-benzoxazole-5-carboxamide?
The InChIKey is KZSNUSIZERAXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O4/c1-32-21-5-3-2-4-19(21)28-10-12-29(13-11-28)22-9-7-17(15-25-22)24-26-18-14-16(23(30)27-31)6-8-20(18)33-24/h2-9,14-15,24,26,31H,10-13H2,1H3,(H,27,30).
What are the key properties of N-hydroxy-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-2,3-dihydro-1,3-benzoxazole-5-carboxamide?
N-hydroxy-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-2,3-dihydro-1,3-benzoxazole-5-carboxamide has a molecular weight of 447.50 g/mol, XLogP of 3.04, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-2,3-dihydro-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 166668520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).