(3,4-dichlorophenyl)methyl N-[2-[3-(hydroxycarbamoyl)-1,2-oxazol-5-yl]ethyl]carbamate

C14H13Cl2N3O5 — CID 142446435

IUPAC(3,4-dichlorophenyl)methyl N-[2-[3-(hydroxycarbamoyl)-1,2-oxazol-5-yl]ethyl]carbamate
SMILESO=C(NCCc1cc(C(=O)NO)no1)OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H13Cl2N3O5/c15-10-2-1-8(5-11(10)16)7-23-14(21)17-4-3-9-6-12(19-24-9)13(20)18-22/h1-2,5-6,22H,3-4,7H2,(H,17,21)(H,18,20)
InChIKeyJTZUTBFFCLVGRT-UHFFFAOYSA-N
MW374.18 g/mol
LogP2.57
Rot. Bonds6

About (3,4-dichlorophenyl)methyl N-[2-[3-(hydroxycarbamoyl)-1,2-oxazol-5-yl]ethyl]carbamate

(3,4-dichlorophenyl)methyl N-[2-[3-(hydroxycarbamoyl)-1,2-oxazol-5-yl]ethyl]carbamate (PubChem CID 142446435) has the molecular formula C14H13Cl2N3O5 and a molecular weight of 374.18 g/mol. Its IUPAC name is (3,4-dichlorophenyl)methyl N-[2-[3-(hydroxycarbamoyl)-1,2-oxazol-5-yl]ethyl]carbamate.

Molecular Properties

Compound Name(3,4-dichlorophenyl)methyl N-[2-[3-(hydroxycarbamoyl)-1,2-oxazol-5-yl]ethyl]carbamate
PubChem CID142446435
Molecular FormulaC14H13Cl2N3O5
Molecular Weight374.18 g/mol
Exact Mass373.02
IUPAC Name(3,4-dichlorophenyl)methyl N-[2-[3-(hydroxycarbamoyl)-1,2-oxazol-5-yl]ethyl]carbamate
SMILESO=C(NCCc1cc(C(=O)NO)no1)OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H13Cl2N3O5/c15-10-2-1-8(5-11(10)16)7-23-14(21)17-4-3-9-6-12(19-24-9)13(20)18-22/h1-2,5-6,22H,3-4,7H2,(H,17,21)(H,18,20)
InChIKeyJTZUTBFFCLVGRT-UHFFFAOYSA-N
XLogP2.57
TPSA113.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.18
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

5-[(3,4-dichlorophenyl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 118536638
5-[(3,4-dichlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 63575726
5-[3-(3,4-dichlorophenyl)propyl]-1,2-oxazole-3-carboxylic acid
CID 90326373
N-[2-(4-aminophenyl)ethyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 119548605
5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-3-carboxylic acid
CID 67426969
(3,4-dichlorophenyl)methyl 3-oxobutanoate
CID 3303006
(4-chlorophenyl)methyl N-[2-(4-fluorophenyl)ethyl]carbamate
CID 23366848
5-[(2-chlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 63577021
N-[2-(3-chlorophenyl)ethyl]-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 42567502
5-[2-[[5-[3-(cyclohexanecarbonylamino)phenyl]-1,2-oxazole-3-carbonyl]amino]ethyl]-N-hydroxy-1,2-oxazole-3-carboxamide
CID 126677702
5-[(2-chlorophenyl)methoxymethyl]-1,2-oxazole-3-carbohydrazide
CID 63586476
5-[3-(4-chlorophenyl)propyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 90325749

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)methyl N-[2-[3-(hydroxycarbamoyl)-1,2-oxazol-5-yl]ethyl]carbamate?
The IUPAC name of (3,4-dichlorophenyl)methyl N-[2-[3-(hydroxycarbamoyl)-1,2-oxazol-5-yl]ethyl]carbamate (CID 142446435) is (3,4-dichlorophenyl)methyl N-[2-[3-(hydroxycarbamoyl)-1,2-oxazol-5-yl]ethyl]carbamate.
What is the SMILES notation for (3,4-dichlorophenyl)methyl N-[2-[3-(hydroxycarbamoyl)-1,2-oxazol-5-yl]ethyl]carbamate?
The canonical SMILES for (3,4-dichlorophenyl)methyl N-[2-[3-(hydroxycarbamoyl)-1,2-oxazol-5-yl]ethyl]carbamate is O=C(NCCc1cc(C(=O)NO)no1)OCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (3,4-dichlorophenyl)methyl N-[2-[3-(hydroxycarbamoyl)-1,2-oxazol-5-yl]ethyl]carbamate?
The InChIKey is JTZUTBFFCLVGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O5/c15-10-2-1-8(5-11(10)16)7-23-14(21)17-4-3-9-6-12(19-24-9)13(20)18-22/h1-2,5-6,22H,3-4,7H2,(H,17,21)(H,18,20).
What are the key properties of (3,4-dichlorophenyl)methyl N-[2-[3-(hydroxycarbamoyl)-1,2-oxazol-5-yl]ethyl]carbamate?
(3,4-dichlorophenyl)methyl N-[2-[3-(hydroxycarbamoyl)-1,2-oxazol-5-yl]ethyl]carbamate has a molecular weight of 374.18 g/mol, XLogP of 2.57, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)methyl N-[2-[3-(hydroxycarbamoyl)-1,2-oxazol-5-yl]ethyl]carbamate is sourced from PubChem (CID 142446435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).