1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)butyl N-(3,5-dichlorophenyl)carbamate

C16H20Cl2N2O3 — CID 13125000

IUPAC1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)butyl N-(3,5-dichlorophenyl)carbamate
SMILESCCCC(OC(=O)Nc1cc(Cl)cc(Cl)c1)C1=NC(C)(C)CO1
InChIInChI=1S/C16H20Cl2N2O3/c1-4-5-13(14-20-16(2,3)9-22-14)23-15(21)19-12-7-10(17)6-11(18)8-12/h6-8,13H,4-5,9H2,1-3H3,(H,19,21)
InChIKeyHJPNSVJVAKHFSX-UHFFFAOYSA-N
MW359.25 g/mol
LogP4.92
Rot. Bonds5

About 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)butyl N-(3,5-dichlorophenyl)carbamate

1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)butyl N-(3,5-dichlorophenyl)carbamate (PubChem CID 13125000) has the molecular formula C16H20Cl2N2O3 and a molecular weight of 359.25 g/mol. Its IUPAC name is 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)butyl N-(3,5-dichlorophenyl)carbamate.

Molecular Properties

Compound Name1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)butyl N-(3,5-dichlorophenyl)carbamate
PubChem CID13125000
Molecular FormulaC16H20Cl2N2O3
Molecular Weight359.25 g/mol
Exact Mass358.09
IUPAC Name1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)butyl N-(3,5-dichlorophenyl)carbamate
SMILESCCCC(OC(=O)Nc1cc(Cl)cc(Cl)c1)C1=NC(C)(C)CO1
InChIInChI=1S/C16H20Cl2N2O3/c1-4-5-13(14-20-16(2,3)9-22-14)23-15(21)19-12-7-10(17)6-11(18)8-12/h6-8,13H,4-5,9H2,1-3H3,(H,19,21)
InChIKeyHJPNSVJVAKHFSX-UHFFFAOYSA-N
XLogP4.92
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.25
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)butyl N-(3,5-dichlorophenyl)carbamate with MolForge

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

Launch Full Analysis

Related Compounds

1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propyl N-(3,5-dichlorophenyl)carbamate
CID 13124998
1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl N-(3,4-dichlorophenyl)carbamate
CID 13124995
1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl N-(3-fluorophenyl)carbamate
CID 13125007
propan-2-yl N-(3-chloro-5-fluorophenyl)carbamate
CID 107364692
[(2S)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] propanoate
CID 7860279
1-(3,5-dichlorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103709984
2-(diethylamino)ethyl N-(3,5-dichlorophenyl)carbamate
CID 30031
propan-2-yl 4-(3,5-dichloroanilino)-2-methylidene-4-oxobutanoate
CID 13342230
(2S,3S)-2-amino-N-(3,5-dichlorophenyl)-3-methylpentanamide
CID 42314535
N-(3,5-dichlorophenyl)-3-(ethylamino)butanamide
CID 62839661
ethyl 4-[(3,5-dichlorophenyl)carbamoyl]-1,3-dioxolane-4-carboxylate
CID 163379830
2-(butylamino)-N-(3,5-dichlorophenyl)pyrimidine-5-carboxamide
CID 109248417

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)butyl N-(3,5-dichlorophenyl)carbamate?
The IUPAC name of 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)butyl N-(3,5-dichlorophenyl)carbamate (CID 13125000) is 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)butyl N-(3,5-dichlorophenyl)carbamate.
What is the SMILES notation for 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)butyl N-(3,5-dichlorophenyl)carbamate?
The canonical SMILES for 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)butyl N-(3,5-dichlorophenyl)carbamate is CCCC(OC(=O)Nc1cc(Cl)cc(Cl)c1)C1=NC(C)(C)CO1.
What is the InChIKey of 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)butyl N-(3,5-dichlorophenyl)carbamate?
The InChIKey is HJPNSVJVAKHFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O3/c1-4-5-13(14-20-16(2,3)9-22-14)23-15(21)19-12-7-10(17)6-11(18)8-12/h6-8,13H,4-5,9H2,1-3H3,(H,19,21).
What are the key properties of 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)butyl N-(3,5-dichlorophenyl)carbamate?
1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)butyl N-(3,5-dichlorophenyl)carbamate has a molecular weight of 359.25 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)butyl N-(3,5-dichlorophenyl)carbamate is sourced from PubChem (CID 13125000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).