[5-(chloromethyl)-1,2-oxazol-3-yl] N-(3-chlorophenyl)carbamate

C11H8Cl2N2O3 — CID 3769156

IUPAC[5-(chloromethyl)-1,2-oxazol-3-yl] N-(3-chlorophenyl)carbamate
SMILESO=C(Nc1cccc(Cl)c1)Oc1cc(CCl)on1
InChIInChI=1S/C11H8Cl2N2O3/c12-6-9-5-10(15-18-9)17-11(16)14-8-3-1-2-7(13)4-8/h1-5H,6H2,(H,14,16)
InChIKeyNHXWHMZJQRBCSU-UHFFFAOYSA-N
MW287.10 g/mol
LogP3.68
Rot. Bonds3

About [5-(chloromethyl)-1,2-oxazol-3-yl] N-(3-chlorophenyl)carbamate

[5-(chloromethyl)-1,2-oxazol-3-yl] N-(3-chlorophenyl)carbamate (PubChem CID 3769156) has the molecular formula C11H8Cl2N2O3 and a molecular weight of 287.10 g/mol. Its IUPAC name is [5-(chloromethyl)-1,2-oxazol-3-yl] N-(3-chlorophenyl)carbamate.

Molecular Properties

Compound Name[5-(chloromethyl)-1,2-oxazol-3-yl] N-(3-chlorophenyl)carbamate
PubChem CID3769156
Molecular FormulaC11H8Cl2N2O3
Molecular Weight287.10 g/mol
Exact Mass285.99
IUPAC Name[5-(chloromethyl)-1,2-oxazol-3-yl] N-(3-chlorophenyl)carbamate
SMILESO=C(Nc1cccc(Cl)c1)Oc1cc(CCl)on1
InChIInChI=1S/C11H8Cl2N2O3/c12-6-9-5-10(15-18-9)17-11(16)14-8-3-1-2-7(13)4-8/h1-5H,6H2,(H,14,16)
InChIKeyNHXWHMZJQRBCSU-UHFFFAOYSA-N
XLogP3.68
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.10
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

methyl N-(3-chlorophenyl)carbamate
CID 16529
4-chlorobutyl N-(3-chlorophenyl)carbamate
CID 112683015
[3-chloro-2,2-bis(chloromethyl)propyl] N-(3-chlorophenyl)carbamate
CID 819742
[2-(1,3-dioxolan-2-yl)phenyl] N-(3-chlorophenyl)carbamate
CID 14595424
(3-amino-4-methylphenyl) N-(3-chlorophenyl)carbamate
CID 70557166
2,2-dichloroethenyl N-(3-chlorophenyl)carbamate
CID 14150192
1,3-benzodioxol-5-yl N-(3-chlorophenyl)carbamate
CID 127552969
benzene;4-chlorobut-2-ynyl N-(3-chlorophenyl)carbamate
CID 68619895
(2-chloro-4-fluorophenyl) N-(3-fluorophenyl)carbamate
CID 4287006
cyclohexylmethyl N-(3-chlorophenyl)carbamate
CID 27108719
sodium;4-chlorobut-2-ynyl N-(3-chlorophenyl)carbamate;hydride
CID 173150654
CID 67880858
CID 67880858

Frequently Asked Questions

What is the IUPAC name of [5-(chloromethyl)-1,2-oxazol-3-yl] N-(3-chlorophenyl)carbamate?
The IUPAC name of [5-(chloromethyl)-1,2-oxazol-3-yl] N-(3-chlorophenyl)carbamate (CID 3769156) is [5-(chloromethyl)-1,2-oxazol-3-yl] N-(3-chlorophenyl)carbamate.
What is the SMILES notation for [5-(chloromethyl)-1,2-oxazol-3-yl] N-(3-chlorophenyl)carbamate?
The canonical SMILES for [5-(chloromethyl)-1,2-oxazol-3-yl] N-(3-chlorophenyl)carbamate is O=C(Nc1cccc(Cl)c1)Oc1cc(CCl)on1.
What is the InChIKey of [5-(chloromethyl)-1,2-oxazol-3-yl] N-(3-chlorophenyl)carbamate?
The InChIKey is NHXWHMZJQRBCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O3/c12-6-9-5-10(15-18-9)17-11(16)14-8-3-1-2-7(13)4-8/h1-5H,6H2,(H,14,16).
What are the key properties of [5-(chloromethyl)-1,2-oxazol-3-yl] N-(3-chlorophenyl)carbamate?
[5-(chloromethyl)-1,2-oxazol-3-yl] N-(3-chlorophenyl)carbamate has a molecular weight of 287.10 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(chloromethyl)-1,2-oxazol-3-yl] N-(3-chlorophenyl)carbamate is sourced from PubChem (CID 3769156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).