N,N-diethyl-2-[(1S)-1-[[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]amino]-2-methylpropyl]-1,3-oxazole-4-carboxamide

C20H34N4O5 — CID 66551255

IUPACN,N-diethyl-2-[(1S)-1-[[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]amino]-2-methylpropyl]-1,3-oxazole-4-carboxamide
SMILESCCCC[C@H](CN(O)C=O)C(=O)N[C@H](c1nc(C(=O)N(CC)CC)co1)C(C)C
InChIInChI=1S/C20H34N4O5/c1-6-9-10-15(11-24(28)13-25)18(26)22-17(14(4)5)19-21-16(12-29-19)20(27)23(7-2)8-3/h12-15,17,28H,6-11H2,1-5H3,(H,22,26)/t15-,17+/m1/s1
InChIKeyNSYOAAPDCOAOJB-WBVHZDCISA-N
MW410.52 g/mol
LogP2.62
Rot. Bonds13

About N,N-diethyl-2-[(1S)-1-[[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]amino]-2-methylpropyl]-1,3-oxazole-4-carboxamide

N,N-diethyl-2-[(1S)-1-[[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]amino]-2-methylpropyl]-1,3-oxazole-4-carboxamide (PubChem CID 66551255) has the molecular formula C20H34N4O5 and a molecular weight of 410.52 g/mol. Its IUPAC name is N,N-diethyl-2-[(1S)-1-[[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]amino]-2-methylpropyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(1S)-1-[[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]amino]-2-methylpropyl]-1,3-oxazole-4-carboxamide
PubChem CID66551255
Molecular FormulaC20H34N4O5
Molecular Weight410.52 g/mol
Exact Mass410.25
IUPAC NameN,N-diethyl-2-[(1S)-1-[[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]amino]-2-methylpropyl]-1,3-oxazole-4-carboxamide
SMILESCCCC[C@H](CN(O)C=O)C(=O)N[C@H](c1nc(C(=O)N(CC)CC)co1)C(C)C
InChIInChI=1S/C20H34N4O5/c1-6-9-10-15(11-24(28)13-25)18(26)22-17(14(4)5)19-21-16(12-29-19)20(27)23(7-2)8-3/h12-15,17,28H,6-11H2,1-5H3,(H,22,26)/t15-,17+/m1/s1
InChIKeyNSYOAAPDCOAOJB-WBVHZDCISA-N
XLogP2.62
TPSA115.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.62
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'}

Analyze N,N-diethyl-2-[(1S)-1-[[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]amino]-2-methylpropyl]-1,3-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(1S)-1-[[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]amino]-2-methylpropyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N,N-diethyl-2-[(1S)-1-[[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]amino]-2-methylpropyl]-1,3-oxazole-4-carboxamide (CID 66551255) is N,N-diethyl-2-[(1S)-1-[[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]amino]-2-methylpropyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N,N-diethyl-2-[(1S)-1-[[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]amino]-2-methylpropyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N,N-diethyl-2-[(1S)-1-[[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]amino]-2-methylpropyl]-1,3-oxazole-4-carboxamide is CCCC[C@H](CN(O)C=O)C(=O)N[C@H](c1nc(C(=O)N(CC)CC)co1)C(C)C.
What is the InChIKey of N,N-diethyl-2-[(1S)-1-[[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]amino]-2-methylpropyl]-1,3-oxazole-4-carboxamide?
The InChIKey is NSYOAAPDCOAOJB-WBVHZDCISA-N. The full InChI is InChI=1S/C20H34N4O5/c1-6-9-10-15(11-24(28)13-25)18(26)22-17(14(4)5)19-21-16(12-29-19)20(27)23(7-2)8-3/h12-15,17,28H,6-11H2,1-5H3,(H,22,26)/t15-,17+/m1/s1.
What are the key properties of N,N-diethyl-2-[(1S)-1-[[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]amino]-2-methylpropyl]-1,3-oxazole-4-carboxamide?
N,N-diethyl-2-[(1S)-1-[[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]amino]-2-methylpropyl]-1,3-oxazole-4-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 2.62, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(1S)-1-[[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]amino]-2-methylpropyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 66551255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).