(4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine;hydrobromide

C10H13BrN2O — CID 3058502

IUPAC(4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine;hydrobromide
SMILESBr.C[C@H]1N=C(N)O[C@H]1c1ccccc1
InChIInChI=1S/C10H12N2O.BrH/c1-7-9(13-10(11)12-7)8-5-3-2-4-6-8;/h2-7,9H,1H3,(H2,11,12);1H/t7-,9-;/m1./s1
InChIKeyWPWRAVOSYQPKBK-PRCZDLBKSA-N
MW257.13 g/mol
LogP2.04
Rot. Bonds1

About (4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine;hydrobromide

(4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine;hydrobromide (PubChem CID 3058502) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is (4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine;hydrobromide.

Molecular Properties

Compound Name(4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine;hydrobromide
PubChem CID3058502
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC Name(4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine;hydrobromide
SMILESBr.C[C@H]1N=C(N)O[C@H]1c1ccccc1
InChIInChI=1S/C10H12N2O.BrH/c1-7-9(13-10(11)12-7)8-5-3-2-4-6-8;/h2-7,9H,1H3,(H2,11,12);1H/t7-,9-;/m1./s1
InChIKeyWPWRAVOSYQPKBK-PRCZDLBKSA-N
XLogP2.04
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine;hydrobromide?
The IUPAC name of (4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine;hydrobromide (CID 3058502) is (4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine;hydrobromide.
What is the SMILES notation for (4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine;hydrobromide?
The canonical SMILES for (4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine;hydrobromide is Br.C[C@H]1N=C(N)O[C@H]1c1ccccc1.
What is the InChIKey of (4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine;hydrobromide?
The InChIKey is WPWRAVOSYQPKBK-PRCZDLBKSA-N. The full InChI is InChI=1S/C10H12N2O.BrH/c1-7-9(13-10(11)12-7)8-5-3-2-4-6-8;/h2-7,9H,1H3,(H2,11,12);1H/t7-,9-;/m1./s1.
What are the key properties of (4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine;hydrobromide?
(4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine;hydrobromide has a molecular weight of 257.13 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine;hydrobromide is sourced from PubChem (CID 3058502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).