(4S)-4-(4-bromophenyl)-4-methyl-5H-1,3-oxazol-2-amine

C10H11BrN2O — CID 59323826

IUPAC(4S)-4-(4-bromophenyl)-4-methyl-5H-1,3-oxazol-2-amine
SMILESC[C@]1(c2ccc(Br)cc2)COC(N)=N1
InChIInChI=1S/C10H11BrN2O/c1-10(6-14-9(12)13-10)7-2-4-8(11)5-3-7/h2-5H,6H2,1H3,(H2,12,13)/t10-/m1/s1
InChIKeyPFGQJLSABMTQRX-SNVBAGLBSA-N
MW255.12 g/mol
LogP2.01
Rot. Bonds1

About (4S)-4-(4-bromophenyl)-4-methyl-5H-1,3-oxazol-2-amine

(4S)-4-(4-bromophenyl)-4-methyl-5H-1,3-oxazol-2-amine (PubChem CID 59323826) has the molecular formula C10H11BrN2O and a molecular weight of 255.12 g/mol. Its IUPAC name is (4S)-4-(4-bromophenyl)-4-methyl-5H-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-(4-bromophenyl)-4-methyl-5H-1,3-oxazol-2-amine
PubChem CID59323826
Molecular FormulaC10H11BrN2O
Molecular Weight255.12 g/mol
Exact Mass254.01
IUPAC Name(4S)-4-(4-bromophenyl)-4-methyl-5H-1,3-oxazol-2-amine
SMILESC[C@]1(c2ccc(Br)cc2)COC(N)=N1
InChIInChI=1S/C10H11BrN2O/c1-10(6-14-9(12)13-10)7-2-4-8(11)5-3-7/h2-5H,6H2,1H3,(H2,12,13)/t10-/m1/s1
InChIKeyPFGQJLSABMTQRX-SNVBAGLBSA-N
XLogP2.01
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.12
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-4-(4-Bromophenyl)-4,5-dihydrooxazol-2-amine
CID 24966115
(4S)-4-(4-bromo-2-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323817
(4S)-4-(2-bromophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323890
(RS)-4-(4-bromo-phenyl)-4,5-dihydro-oxazol-2-ylamine
CID 59323892
(4S)-4-(3-bromo-2,4-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966112
(4S)-4-methyl-4-(4-methylphenyl)-5H-1,3-oxazol-2-amine
CID 24966826
4-[4-Bromo-2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 59323647
4-(2-Bromophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323673
4-methyl-4-(2,3,6-trifluorophenyl)-5H-1,3-oxazol-2-amine
CID 59323675
4-methyl-4-(3,4,5-trifluorophenyl)-5H-1,3-oxazol-2-amine
CID 59323688
(4S)-4-(2,5-difluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine
CID 59323712
(4S)-4-[4-bromo-2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 59323719

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-bromophenyl)-4-methyl-5H-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-(4-bromophenyl)-4-methyl-5H-1,3-oxazol-2-amine (CID 59323826) is (4S)-4-(4-bromophenyl)-4-methyl-5H-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-(4-bromophenyl)-4-methyl-5H-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-(4-bromophenyl)-4-methyl-5H-1,3-oxazol-2-amine is C[C@]1(c2ccc(Br)cc2)COC(N)=N1.
What is the InChIKey of (4S)-4-(4-bromophenyl)-4-methyl-5H-1,3-oxazol-2-amine?
The InChIKey is PFGQJLSABMTQRX-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H11BrN2O/c1-10(6-14-9(12)13-10)7-2-4-8(11)5-3-7/h2-5H,6H2,1H3,(H2,12,13)/t10-/m1/s1.
What are the key properties of (4S)-4-(4-bromophenyl)-4-methyl-5H-1,3-oxazol-2-amine?
(4S)-4-(4-bromophenyl)-4-methyl-5H-1,3-oxazol-2-amine has a molecular weight of 255.12 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-bromophenyl)-4-methyl-5H-1,3-oxazol-2-amine is sourced from PubChem (CID 59323826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).