(4S)-4-(5-chloro-2-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine

C9H8ClFN2O — CID 59323659

IUPAC(4S)-4-(5-chloro-2-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=N[C@@H](c2cc(Cl)ccc2F)CO1
InChIInChI=1S/C9H8ClFN2O/c10-5-1-2-7(11)6(3-5)8-4-14-9(12)13-8/h1-3,8H,4H2,(H2,12,13)/t8-/m1/s1
InChIKeyYOTQXEZPGCIDKW-MRVPVSSYSA-N
MW214.63 g/mol
LogP1.87
Rot. Bonds1

About (4S)-4-(5-chloro-2-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine

(4S)-4-(5-chloro-2-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 59323659) has the molecular formula C9H8ClFN2O and a molecular weight of 214.63 g/mol. Its IUPAC name is (4S)-4-(5-chloro-2-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-(5-chloro-2-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID59323659
Molecular FormulaC9H8ClFN2O
Molecular Weight214.63 g/mol
Exact Mass214.03
IUPAC Name(4S)-4-(5-chloro-2-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=N[C@@H](c2cc(Cl)ccc2F)CO1
InChIInChI=1S/C9H8ClFN2O/c10-5-1-2-7(11)6(3-5)8-4-14-9(12)13-8/h1-3,8H,4H2,(H2,12,13)/t8-/m1/s1
InChIKeyYOTQXEZPGCIDKW-MRVPVSSYSA-N
XLogP1.87
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.63
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-4-[2-(3-chloro-phenyl)-ethyl]-4,5-dihydro-oxazol-2-ylamine
CID 24963281
(S)-4-(3,4-Dichlorophenyl)-4,5-dihydrooxazol-2-amine
CID 24966113
(4S)-4-(4-chloro-2-cyclopropylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323783
(4S)-4-(4-chloro-2-ethylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323794
(4S)-4-(4-chloro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 127031959
(S)-Rexamino
CID 11116360
(4S)-4-[2-(3-chlorophenyl)ethyl]-4-methyl-5H-1,3-oxazol-2-amine
CID 24963283
(4S)-4-(2-chlorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966106
(S)-4-(4-Chlorophenyl)-4,5-dihydrooxazol-2-amine
CID 24966108
(4S)-4-(2-chlorophenyl)-4-methyl-5H-1,3-oxazol-2-amine
CID 24966469
RO-5263397
CID 56835991
(S)-4-(3-Fluorophenyl)-4,5-dihydrooxazol-2-amine
CID 59323617

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(5-chloro-2-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-(5-chloro-2-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine (CID 59323659) is (4S)-4-(5-chloro-2-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-(5-chloro-2-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-(5-chloro-2-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine is NC1=N[C@@H](c2cc(Cl)ccc2F)CO1.
What is the InChIKey of (4S)-4-(5-chloro-2-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is YOTQXEZPGCIDKW-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H8ClFN2O/c10-5-1-2-7(11)6(3-5)8-4-14-9(12)13-8/h1-3,8H,4H2,(H2,12,13)/t8-/m1/s1.
What are the key properties of (4S)-4-(5-chloro-2-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine?
(4S)-4-(5-chloro-2-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 214.63 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(5-chloro-2-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 59323659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).