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

C15H18Cl2N2O3 — CID 13124998

IUPAC1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propyl N-(3,5-dichlorophenyl)carbamate
SMILESCCC(OC(=O)Nc1cc(Cl)cc(Cl)c1)C1=NC(C)(C)CO1
InChIInChI=1S/C15H18Cl2N2O3/c1-4-12(13-19-15(2,3)8-21-13)22-14(20)18-11-6-9(16)5-10(17)7-11/h5-7,12H,4,8H2,1-3H3,(H,18,20)
InChIKeyBLXUTFVKIPYRCY-UHFFFAOYSA-N
MW345.23 g/mol
LogP4.53
Rot. Bonds4

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

1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propyl N-(3,5-dichlorophenyl)carbamate (PubChem CID 13124998) has the molecular formula C15H18Cl2N2O3 and a molecular weight of 345.23 g/mol. Its IUPAC name is 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propyl N-(3,5-dichlorophenyl)carbamate.

Molecular Properties

Compound Name1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propyl N-(3,5-dichlorophenyl)carbamate
PubChem CID13124998
Molecular FormulaC15H18Cl2N2O3
Molecular Weight345.23 g/mol
Exact Mass344.07
IUPAC Name1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propyl N-(3,5-dichlorophenyl)carbamate
SMILESCCC(OC(=O)Nc1cc(Cl)cc(Cl)c1)C1=NC(C)(C)CO1
InChIInChI=1S/C15H18Cl2N2O3/c1-4-12(13-19-15(2,3)8-21-13)22-14(20)18-11-6-9(16)5-10(17)7-11/h5-7,12H,4,8H2,1-3H3,(H,18,20)
InChIKeyBLXUTFVKIPYRCY-UHFFFAOYSA-N
XLogP4.53
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.23
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)butyl N-(3,5-dichlorophenyl)carbamate
CID 13125000
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
(2S,3S)-2-amino-N-(3,5-dichlorophenyl)-3-methylpentanamide
CID 42314535
propan-2-yl N-(3-chloro-5-fluorophenyl)carbamate
CID 107364692
[(2S)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] propanoate
CID 7860279
2-(diethylamino)ethyl N-(3,5-dichlorophenyl)carbamate
CID 30031
propan-2-yl 4-(3,5-dichloroanilino)-2-methylidene-4-oxobutanoate
CID 13342230
[(2S)-butan-2-yl] N-(4-chlorophenyl)carbamate
CID 124748954
1-phenylpropyl N-(3,5-dinitrophenyl)carbamate
CID 2794109
[(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] (2S)-2-phenylbutanoate
CID 7810987
ethyl 4-[(3,5-dichlorophenyl)carbamoyl]-1,3-dioxolane-4-carboxylate
CID 163379830

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propyl N-(3,5-dichlorophenyl)carbamate?
The IUPAC name of 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propyl N-(3,5-dichlorophenyl)carbamate (CID 13124998) is 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propyl N-(3,5-dichlorophenyl)carbamate.
What is the SMILES notation for 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propyl N-(3,5-dichlorophenyl)carbamate?
The canonical SMILES for 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propyl N-(3,5-dichlorophenyl)carbamate is CCC(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)propyl N-(3,5-dichlorophenyl)carbamate?
The InChIKey is BLXUTFVKIPYRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O3/c1-4-12(13-19-15(2,3)8-21-13)22-14(20)18-11-6-9(16)5-10(17)7-11/h5-7,12H,4,8H2,1-3H3,(H,18,20).
What are the key properties of 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propyl N-(3,5-dichlorophenyl)carbamate?
1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propyl N-(3,5-dichlorophenyl)carbamate has a molecular weight of 345.23 g/mol, XLogP of 4.53, 4 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)propyl N-(3,5-dichlorophenyl)carbamate is sourced from PubChem (CID 13124998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).