(2R)-2-[[formyl(hydroxy)amino]methyl]-N-[(1S)-2-methyl-1-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]propyl]hexanamide

C21H34N4O5 — CID 66551453

IUPAC(2R)-2-[[formyl(hydroxy)amino]methyl]-N-[(1S)-2-methyl-1-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]propyl]hexanamide
SMILESCCCC[C@H](CN(O)C=O)C(=O)N[C@H](c1nc(C(=O)N2CCCCC2)co1)C(C)C
InChIInChI=1S/C21H34N4O5/c1-4-5-9-16(12-25(29)14-26)19(27)23-18(15(2)3)20-22-17(13-30-20)21(28)24-10-7-6-8-11-24/h13-16,18,29H,4-12H2,1-3H3,(H,23,27)/t16-,18+/m1/s1
InChIKeyOVVSGDSCMHDJDT-AEFFLSMTSA-N
MW422.53 g/mol
LogP2.77
Rot. Bonds11

About (2R)-2-[[formyl(hydroxy)amino]methyl]-N-[(1S)-2-methyl-1-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]propyl]hexanamide

(2R)-2-[[formyl(hydroxy)amino]methyl]-N-[(1S)-2-methyl-1-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]propyl]hexanamide (PubChem CID 66551453) has the molecular formula C21H34N4O5 and a molecular weight of 422.53 g/mol. Its IUPAC name is (2R)-2-[[formyl(hydroxy)amino]methyl]-N-[(1S)-2-methyl-1-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]propyl]hexanamide.

Molecular Properties

Compound Name(2R)-2-[[formyl(hydroxy)amino]methyl]-N-[(1S)-2-methyl-1-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]propyl]hexanamide
PubChem CID66551453
Molecular FormulaC21H34N4O5
Molecular Weight422.53 g/mol
Exact Mass422.25
IUPAC Name(2R)-2-[[formyl(hydroxy)amino]methyl]-N-[(1S)-2-methyl-1-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]propyl]hexanamide
SMILESCCCC[C@H](CN(O)C=O)C(=O)N[C@H](c1nc(C(=O)N2CCCCC2)co1)C(C)C
InChIInChI=1S/C21H34N4O5/c1-4-5-9-16(12-25(29)14-26)19(27)23-18(15(2)3)20-22-17(13-30-20)21(28)24-10-7-6-8-11-24/h13-16,18,29H,4-12H2,1-3H3,(H,23,27)/t16-,18+/m1/s1
InChIKeyOVVSGDSCMHDJDT-AEFFLSMTSA-N
XLogP2.77
TPSA115.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 (2R)-2-[[formyl(hydroxy)amino]methyl]-N-[(1S)-2-methyl-1-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]propyl]hexanamide?
The IUPAC name of (2R)-2-[[formyl(hydroxy)amino]methyl]-N-[(1S)-2-methyl-1-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]propyl]hexanamide (CID 66551453) is (2R)-2-[[formyl(hydroxy)amino]methyl]-N-[(1S)-2-methyl-1-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]propyl]hexanamide.
What is the SMILES notation for (2R)-2-[[formyl(hydroxy)amino]methyl]-N-[(1S)-2-methyl-1-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]propyl]hexanamide?
The canonical SMILES for (2R)-2-[[formyl(hydroxy)amino]methyl]-N-[(1S)-2-methyl-1-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]propyl]hexanamide is CCCC[C@H](CN(O)C=O)C(=O)N[C@H](c1nc(C(=O)N2CCCCC2)co1)C(C)C.
What is the InChIKey of (2R)-2-[[formyl(hydroxy)amino]methyl]-N-[(1S)-2-methyl-1-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]propyl]hexanamide?
The InChIKey is OVVSGDSCMHDJDT-AEFFLSMTSA-N. The full InChI is InChI=1S/C21H34N4O5/c1-4-5-9-16(12-25(29)14-26)19(27)23-18(15(2)3)20-22-17(13-30-20)21(28)24-10-7-6-8-11-24/h13-16,18,29H,4-12H2,1-3H3,(H,23,27)/t16-,18+/m1/s1.
What are the key properties of (2R)-2-[[formyl(hydroxy)amino]methyl]-N-[(1S)-2-methyl-1-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]propyl]hexanamide?
(2R)-2-[[formyl(hydroxy)amino]methyl]-N-[(1S)-2-methyl-1-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]propyl]hexanamide has a molecular weight of 422.53 g/mol, XLogP of 2.77, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[formyl(hydroxy)amino]methyl]-N-[(1S)-2-methyl-1-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]propyl]hexanamide is sourced from PubChem (CID 66551453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).