4-[(4-chloro-2-ethylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine

C12H15ClN2O — CID 147644765

IUPAC4-[(4-chloro-2-ethylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCCc1cc(Cl)ccc1CC1COC(N)=N1
InChIInChI=1S/C12H15ClN2O/c1-2-8-5-10(13)4-3-9(8)6-11-7-16-12(14)15-11/h3-5,11H,2,6-7H2,1H3,(H2,14,15)
InChIKeyGIIIFMBZPWFYCD-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.16
Rot. Bonds3

About 4-[(4-chloro-2-ethylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine

4-[(4-chloro-2-ethylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 147644765) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 4-[(4-chloro-2-ethylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-[(4-chloro-2-ethylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID147644765
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name4-[(4-chloro-2-ethylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCCc1cc(Cl)ccc1CC1COC(N)=N1
InChIInChI=1S/C12H15ClN2O/c1-2-8-5-10(13)4-3-9(8)6-11-7-16-12(14)15-11/h3-5,11H,2,6-7H2,1H3,(H2,14,15)
InChIKeyGIIIFMBZPWFYCD-UHFFFAOYSA-N
XLogP2.16
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-[(4-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 59323764
(4S)-4-[(2-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 59323786
(4S)-4-[3-(4-chlorophenyl)-3-methylbutyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 59173201
(4S)-4-[(3,5-dichloro-N-ethylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 25016283
4-[(4-chlorophenyl)methoxymethyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 68714803
(4S)-4-[2-(2,4-difluorophenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 24967182
4-[(2S)-2-[(5-chloro-2-pyridinyl)oxy]butyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 163469476
(4S)-4-[(3S)-3-(4-chlorophenyl)-3-methoxypropyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 59173187
4-[2-(3-chloro-4-fluorophenoxy)propyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 67177300
(4S)-4-[(2R)-2-(4-chloro-3-fluorophenoxy)butyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 67178117
(4S)-4-[[(3,5-dichlorophenyl)methylamino]methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 67271371
4-(2-bromo-5-chlorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 66157100

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-2-ethylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of 4-[(4-chloro-2-ethylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 147644765) is 4-[(4-chloro-2-ethylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for 4-[(4-chloro-2-ethylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for 4-[(4-chloro-2-ethylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine is CCc1cc(Cl)ccc1CC1COC(N)=N1.
What is the InChIKey of 4-[(4-chloro-2-ethylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is GIIIFMBZPWFYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-2-8-5-10(13)4-3-9(8)6-11-7-16-12(14)15-11/h3-5,11H,2,6-7H2,1H3,(H2,14,15).
What are the key properties of 4-[(4-chloro-2-ethylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
4-[(4-chloro-2-ethylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 238.72 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-2-ethylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 147644765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).