4-[2-(2-chloro-6-fluorophenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine

C11H12ClFN2O — CID 68713551

IUPAC4-[2-(2-chloro-6-fluorophenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=NC(CCc2c(F)cccc2Cl)CO1
InChIInChI=1S/C11H12ClFN2O/c12-9-2-1-3-10(13)8(9)5-4-7-6-16-11(14)15-7/h1-3,7H,4-6H2,(H2,14,15)
InChIKeyJVZWSSPNAWGFPA-UHFFFAOYSA-N
MW242.68 g/mol
LogP2.13
Rot. Bonds3

About 4-[2-(2-chloro-6-fluorophenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine

4-[2-(2-chloro-6-fluorophenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 68713551) has the molecular formula C11H12ClFN2O and a molecular weight of 242.68 g/mol. Its IUPAC name is 4-[2-(2-chloro-6-fluorophenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-[2-(2-chloro-6-fluorophenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID68713551
Molecular FormulaC11H12ClFN2O
Molecular Weight242.68 g/mol
Exact Mass242.06
IUPAC Name4-[2-(2-chloro-6-fluorophenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=NC(CCc2c(F)cccc2Cl)CO1
InChIInChI=1S/C11H12ClFN2O/c12-9-2-1-3-10(13)8(9)5-4-7-6-16-11(14)15-7/h1-3,7H,4-6H2,(H2,14,15)
InChIKeyJVZWSSPNAWGFPA-UHFFFAOYSA-N
XLogP2.13
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.68
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(3,5-difluorophenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 68716355
3-[2-(2-chloro-6-fluorophenyl)ethyl]azetidine
CID 130901330
2-[(2-chloro-6-fluorophenyl)methyl]oxirane
CID 87314733
4-[2-(3,4-difluorophenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 67180774
2-(2-bromoethyl)-1-chloro-3-fluorobenzene
CID 53403497
CID 167462330
CID 167462330
4-[(4-chlorophenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 68715792
(4S)-4-(3-fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine;hydrochloride
CID 146018955
(4R)-4-(3-chloro-4-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323787
1-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-3-(4-fluorophenyl)urea
CID 53235413
(4S)-4-[(3S)-3-(4-chlorophenyl)-3-methoxypropyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 59173187
(4S)-4-[2-(3-bromophenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 44602508

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chloro-6-fluorophenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of 4-[2-(2-chloro-6-fluorophenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 68713551) is 4-[2-(2-chloro-6-fluorophenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for 4-[2-(2-chloro-6-fluorophenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for 4-[2-(2-chloro-6-fluorophenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine is NC1=NC(CCc2c(F)cccc2Cl)CO1.
What is the InChIKey of 4-[2-(2-chloro-6-fluorophenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is JVZWSSPNAWGFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN2O/c12-9-2-1-3-10(13)8(9)5-4-7-6-16-11(14)15-7/h1-3,7H,4-6H2,(H2,14,15).
What are the key properties of 4-[2-(2-chloro-6-fluorophenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
4-[2-(2-chloro-6-fluorophenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 242.68 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chloro-6-fluorophenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 68713551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).