(4S)-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine

C10H9F3N2O — CID 24966822

IUPAC(4S)-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=N[C@@H](c2ccccc2C(F)(F)F)CO1
InChIInChI=1S/C10H9F3N2O/c11-10(12,13)7-4-2-1-3-6(7)8-5-16-9(14)15-8/h1-4,8H,5H2,(H2,14,15)/t8-/m1/s1
InChIKeyPJVZDVMYOPCPIE-MRVPVSSYSA-N
MW230.19 g/mol
LogP2.09
Rot. Bonds1

About (4S)-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine

(4S)-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 24966822) has the molecular formula C10H9F3N2O and a molecular weight of 230.19 g/mol. Its IUPAC name is (4S)-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID24966822
Molecular FormulaC10H9F3N2O
Molecular Weight230.19 g/mol
Exact Mass230.07
IUPAC Name(4S)-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=N[C@@H](c2ccccc2C(F)(F)F)CO1
InChIInChI=1S/C10H9F3N2O/c11-10(12,13)7-4-2-1-3-6(7)8-5-16-9(14)15-8/h1-4,8H,5H2,(H2,14,15)/t8-/m1/s1
InChIKeyPJVZDVMYOPCPIE-MRVPVSSYSA-N
XLogP2.09
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-(2-phenylethyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59824833
(S)-Rexamino
CID 11116360
(4S)-4-(4-phenylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966828
(S)-4-Benzyl-4,5-dihydrooxazol-2-amine
CID 54333224
RO-5263397
CID 56835991
(S)-4-(3-Fluorophenyl)-4,5-dihydrooxazol-2-amine
CID 59323617
(4S)-4-(2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323758
(4S)-4-(3-phenylpropyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323798
(4S)-4-methyl-4-[3-(trifluoromethyl)phenyl]-5H-1,3-oxazol-2-amine
CID 24966827
(4S)-4-[2-(2,4-difluorophenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 24967182
(4R)-4-(4-phenylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323724
4-(3,4-Dihydronaphthalen-2-ylmethyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 10704546

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 24966822) is (4S)-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine is NC1=N[C@@H](c2ccccc2C(F)(F)F)CO1.
What is the InChIKey of (4S)-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is PJVZDVMYOPCPIE-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H9F3N2O/c11-10(12,13)7-4-2-1-3-6(7)8-5-16-9(14)15-8/h1-4,8H,5H2,(H2,14,15)/t8-/m1/s1.
What are the key properties of (4S)-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine?
(4S)-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 230.19 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 24966822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).