(1S)-1-(4-bromophenyl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]ethanol

C14H17BrN2O2 — CID 97004834

IUPAC(1S)-1-(4-bromophenyl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]ethanol
SMILESCc1cc(CN(C)C[C@@H](O)c2ccc(Br)cc2)no1
InChIInChI=1S/C14H17BrN2O2/c1-10-7-13(16-19-10)8-17(2)9-14(18)11-3-5-12(15)6-4-11/h3-7,14,18H,8-9H2,1-2H3/t14-/m1/s1
InChIKeyWDDIPQLMJKEYHB-CQSZACIVSA-N
MW325.21 g/mol
LogP2.91
Rot. Bonds5

About (1S)-1-(4-bromophenyl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]ethanol

(1S)-1-(4-bromophenyl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]ethanol (PubChem CID 97004834) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is (1S)-1-(4-bromophenyl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name(1S)-1-(4-bromophenyl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]ethanol
PubChem CID97004834
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name(1S)-1-(4-bromophenyl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]ethanol
SMILESCc1cc(CN(C)C[C@@H](O)c2ccc(Br)cc2)no1
InChIInChI=1S/C14H17BrN2O2/c1-10-7-13(16-19-10)8-17(2)9-14(18)11-3-5-12(15)6-4-11/h3-7,14,18H,8-9H2,1-2H3/t14-/m1/s1
InChIKeyWDDIPQLMJKEYHB-CQSZACIVSA-N
XLogP2.91
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-1-(4-bromophenyl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]ethanol with MolForge

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Related Compounds

(1R)-1-(4-bromophenyl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]ethanol
CID 97004833
1-[4-(difluoromethoxy)phenyl]-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]ethanol
CID 110901978
1-(4-bromophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethane-1,2-diamine
CID 55016075
N-methyl-1-[4-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]phenyl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine
CID 36967982
2-[[2-(4-bromophenyl)-2-hydroxyethyl]-methylamino]-1-cyclopropylethanol
CID 111858636
methyl 2-methyl-3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoate
CID 60965753
[4-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]phenyl]methanol
CID 110008128
cis-(1R,2S)-2-(4-bromophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 94815781
1-(4-bromophenyl)-2-[2-methoxyethyl(methyl)amino]ethanol
CID 110935898
N-[4-[(2R)-2-hydroxy-3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propoxy]phenyl]acetamide
CID 36970741
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine
CID 55016878
(2R)-1-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol
CID 124799203

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-bromophenyl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]ethanol?
The IUPAC name of (1S)-1-(4-bromophenyl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]ethanol (CID 97004834) is (1S)-1-(4-bromophenyl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]ethanol.
What is the SMILES notation for (1S)-1-(4-bromophenyl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]ethanol?
The canonical SMILES for (1S)-1-(4-bromophenyl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]ethanol is Cc1cc(CN(C)C[C@@H](O)c2ccc(Br)cc2)no1.
What is the InChIKey of (1S)-1-(4-bromophenyl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]ethanol?
The InChIKey is WDDIPQLMJKEYHB-CQSZACIVSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-10-7-13(16-19-10)8-17(2)9-14(18)11-3-5-12(15)6-4-11/h3-7,14,18H,8-9H2,1-2H3/t14-/m1/s1.
What are the key properties of (1S)-1-(4-bromophenyl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]ethanol?
(1S)-1-(4-bromophenyl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]ethanol has a molecular weight of 325.21 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-bromophenyl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]ethanol is sourced from PubChem (CID 97004834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).