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

C14H16Cl2N2O3 — CID 13124995

IUPAC1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl N-(3,4-dichlorophenyl)carbamate
SMILESCC(OC(=O)Nc1ccc(Cl)c(Cl)c1)C1=NC(C)(C)CO1
InChIInChI=1S/C14H16Cl2N2O3/c1-8(12-18-14(2,3)7-20-12)21-13(19)17-9-4-5-10(15)11(16)6-9/h4-6,8H,7H2,1-3H3,(H,17,19)
InChIKeyIBKRXKGJABHOGF-UHFFFAOYSA-N
MW331.20 g/mol
LogP4.14
Rot. Bonds3

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

1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl N-(3,4-dichlorophenyl)carbamate (PubChem CID 13124995) has the molecular formula C14H16Cl2N2O3 and a molecular weight of 331.20 g/mol. Its IUPAC name is 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl N-(3,4-dichlorophenyl)carbamate.

Molecular Properties

Compound Name1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl N-(3,4-dichlorophenyl)carbamate
PubChem CID13124995
Molecular FormulaC14H16Cl2N2O3
Molecular Weight331.20 g/mol
Exact Mass330.05
IUPAC Name1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl N-(3,4-dichlorophenyl)carbamate
SMILESCC(OC(=O)Nc1ccc(Cl)c(Cl)c1)C1=NC(C)(C)CO1
InChIInChI=1S/C14H16Cl2N2O3/c1-8(12-18-14(2,3)7-20-12)21-13(19)17-9-4-5-10(15)11(16)6-9/h4-6,8H,7H2,1-3H3,(H,17,19)
InChIKeyIBKRXKGJABHOGF-UHFFFAOYSA-N
XLogP4.14
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl N-(3-fluorophenyl)carbamate
CID 13125007
1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propyl N-(3,5-dichlorophenyl)carbamate
CID 13124998
2-[(3,4-dichlorophenyl)carbamoyloxy]-3-methylbut-3-enoic acid
CID 174279250
(2S)-2-[(3,4-dichlorophenyl)carbamoyloxy]-4-methylpentanoic acid
CID 57172176
2-[(3,4-dichlorophenyl)carbamoyloxy]ethyl 3-methylbutanoate
CID 159240660
[2,2,2-trichloro-1-(propan-2-yloxycarbonylamino)ethyl] N-(3,4-dichlorophenyl)carbamate
CID 71675444
[(1S)-2,2,2-trichloro-1-(propan-2-yloxycarbonylamino)ethyl] N-(3,4-dichlorophenyl)carbamate
CID 163144407
propan-2-yl 3-(3,4-dichloroanilino)-3-oxopropanoate
CID 131843684
2-(propan-2-ylamino)ethyl N-(3,4-dichlorophenyl)carbamate
CID 79337426
(2S)-2-amino-N-(3,4-dichlorophenyl)propanamide
CID 22690595
propan-2-yl N-(3-chloro-4-formylphenyl)carbamate
CID 12553757
S-methyl N-(3,4-dichlorophenyl)carbamothioate
CID 23273770

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl N-(3,4-dichlorophenyl)carbamate?
The IUPAC name of 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl N-(3,4-dichlorophenyl)carbamate (CID 13124995) is 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl N-(3,4-dichlorophenyl)carbamate.
What is the SMILES notation for 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl N-(3,4-dichlorophenyl)carbamate?
The canonical SMILES for 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl N-(3,4-dichlorophenyl)carbamate is CC(OC(=O)Nc1ccc(Cl)c(Cl)c1)C1=NC(C)(C)CO1.
What is the InChIKey of 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl N-(3,4-dichlorophenyl)carbamate?
The InChIKey is IBKRXKGJABHOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O3/c1-8(12-18-14(2,3)7-20-12)21-13(19)17-9-4-5-10(15)11(16)6-9/h4-6,8H,7H2,1-3H3,(H,17,19).
What are the key properties of 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl N-(3,4-dichlorophenyl)carbamate?
1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl N-(3,4-dichlorophenyl)carbamate has a molecular weight of 331.20 g/mol, XLogP of 4.14, 3 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)ethyl N-(3,4-dichlorophenyl)carbamate is sourced from PubChem (CID 13124995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).