N-hydroxy-4-[1-[(3-methyl-5-phenyl-1,2-oxazol-4-yl)carbamoylamino]ethyl]benzamide

C20H20N4O4 — CID 58417341

IUPACN-hydroxy-4-[1-[(3-methyl-5-phenyl-1,2-oxazol-4-yl)carbamoylamino]ethyl]benzamide
SMILESCc1noc(-c2ccccc2)c1NC(=O)NC(C)c1ccc(C(=O)NO)cc1
InChIInChI=1S/C20H20N4O4/c1-12(14-8-10-16(11-9-14)19(25)23-27)21-20(26)22-17-13(2)24-28-18(17)15-6-4-3-5-7-15/h3-12,27H,1-2H3,(H,23,25)(H2,21,22,26)
InChIKeyMOAZVNWKHLGCKJ-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.65
Rot. Bonds5

About N-hydroxy-4-[1-[(3-methyl-5-phenyl-1,2-oxazol-4-yl)carbamoylamino]ethyl]benzamide

N-hydroxy-4-[1-[(3-methyl-5-phenyl-1,2-oxazol-4-yl)carbamoylamino]ethyl]benzamide (PubChem CID 58417341) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is N-hydroxy-4-[1-[(3-methyl-5-phenyl-1,2-oxazol-4-yl)carbamoylamino]ethyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[1-[(3-methyl-5-phenyl-1,2-oxazol-4-yl)carbamoylamino]ethyl]benzamide
PubChem CID58417341
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC NameN-hydroxy-4-[1-[(3-methyl-5-phenyl-1,2-oxazol-4-yl)carbamoylamino]ethyl]benzamide
SMILESCc1noc(-c2ccccc2)c1NC(=O)NC(C)c1ccc(C(=O)NO)cc1
InChIInChI=1S/C20H20N4O4/c1-12(14-8-10-16(11-9-14)19(25)23-27)21-20(26)22-17-13(2)24-28-18(17)15-6-4-3-5-7-15/h3-12,27H,1-2H3,(H,23,25)(H2,21,22,26)
InChIKeyMOAZVNWKHLGCKJ-UHFFFAOYSA-N
XLogP3.65
TPSA116.49 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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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Related Compounds

4-[1-[(2-fluorophenyl)carbamoylamino]ethyl]-N-hydroxybenzamide
CID 58417486
N-hydroxy-4-[2-methyl-1-(1-phenylethylcarbamoylamino)propyl]benzamide
CID 76779917
N'-(3-methyl-5-phenyl-1,2-oxazol-4-yl)oxamide
CID 119043716
5-(4-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]-1,2-oxazole-4-carboxamide
CID 51699745
4-[3-methyl-4-[[(1S)-1-phenylethoxy]carbonylamino]-1,2-oxazol-5-yl]benzoic acid
CID 90427679
4-[4-[3-methyl-4-(1-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]phenyl]benzoic acid
CID 67352405
3-cyclopropyl-2-[[4-[3-methyl-4-(1-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]benzoyl]amino]propanoic acid
CID 90427068
2-[[4-[3-methyl-4-(1-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]benzoyl]amino]-3-phenoxypropanoic acid
CID 90427168
N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)-1H-1,2,4-triazole-5-carboxamide
CID 166222186
1-[(1S,2R)-2-methylcyclohexyl]-3-(3-methyl-5-phenyl-1,2-oxazol-4-yl)urea
CID 97307899
3-(3,4-difluorophenyl)-2-[[4-[3-methyl-4-(1-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]benzoyl]amino]propanoic acid
CID 90427069
4-bromo-N-[1-(4-phenylphenyl)ethyl]benzamide
CID 4267711

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[1-[(3-methyl-5-phenyl-1,2-oxazol-4-yl)carbamoylamino]ethyl]benzamide?
The IUPAC name of N-hydroxy-4-[1-[(3-methyl-5-phenyl-1,2-oxazol-4-yl)carbamoylamino]ethyl]benzamide (CID 58417341) is N-hydroxy-4-[1-[(3-methyl-5-phenyl-1,2-oxazol-4-yl)carbamoylamino]ethyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[1-[(3-methyl-5-phenyl-1,2-oxazol-4-yl)carbamoylamino]ethyl]benzamide?
The canonical SMILES for N-hydroxy-4-[1-[(3-methyl-5-phenyl-1,2-oxazol-4-yl)carbamoylamino]ethyl]benzamide is Cc1noc(-c2ccccc2)c1NC(=O)NC(C)c1ccc(C(=O)NO)cc1.
What is the InChIKey of N-hydroxy-4-[1-[(3-methyl-5-phenyl-1,2-oxazol-4-yl)carbamoylamino]ethyl]benzamide?
The InChIKey is MOAZVNWKHLGCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-12(14-8-10-16(11-9-14)19(25)23-27)21-20(26)22-17-13(2)24-28-18(17)15-6-4-3-5-7-15/h3-12,27H,1-2H3,(H,23,25)(H2,21,22,26).
What are the key properties of N-hydroxy-4-[1-[(3-methyl-5-phenyl-1,2-oxazol-4-yl)carbamoylamino]ethyl]benzamide?
N-hydroxy-4-[1-[(3-methyl-5-phenyl-1,2-oxazol-4-yl)carbamoylamino]ethyl]benzamide has a molecular weight of 380.40 g/mol, XLogP of 3.65, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[1-[(3-methyl-5-phenyl-1,2-oxazol-4-yl)carbamoylamino]ethyl]benzamide is sourced from PubChem (CID 58417341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).