N-[[5-(5-chloro-2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine

C15H19ClN2O2 — CID 79145577

IUPACN-[[5-(5-chloro-2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCOc1ccc(Cl)cc1-c1ocnc1CNC(C)(C)C
InChIInChI=1S/C15H19ClN2O2/c1-15(2,3)18-8-12-14(20-9-17-12)11-7-10(16)5-6-13(11)19-4/h5-7,9,18H,8H2,1-4H3
InChIKeyGCWOPRPDHYWZOU-UHFFFAOYSA-N
MW294.78 g/mol
LogP3.89
Rot. Bonds4

About N-[[5-(5-chloro-2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine

N-[[5-(5-chloro-2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 79145577) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is N-[[5-(5-chloro-2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-(5-chloro-2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID79145577
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC NameN-[[5-(5-chloro-2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCOc1ccc(Cl)cc1-c1ocnc1CNC(C)(C)C
InChIInChI=1S/C15H19ClN2O2/c1-15(2,3)18-8-12-14(20-9-17-12)11-7-10(16)5-6-13(11)19-4/h5-7,9,18H,8H2,1-4H3
InChIKeyGCWOPRPDHYWZOU-UHFFFAOYSA-N
XLogP3.89
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[5-(2-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 79212909
N-[[5-(3-chlorothiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
CID 80642061
N-[[5-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 79146027
N-[[5-(4-chloro-2-fluorophenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 79145835
N-[[5-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 79145568
N-[[3-(5-chloro-2-methoxyphenyl)furan-2-yl]methyl]propan-1-amine
CID 106886805
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62223776
N-tert-butyl-2-[(5-chloro-2-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 63521687
tert-butyl-(5-chloro-2-methoxyphenoxy)-dimethylsilane
CID 125116719
N-[[2-(5-chloro-2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 65288094
N-[[5-(5-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65184147
5-chloro-1-(5-chloro-2-methoxyphenyl)-2,3-dimethoxybenzene
CID 143319889

Frequently Asked Questions

What is the IUPAC name of N-[[5-(5-chloro-2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-(5-chloro-2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine (CID 79145577) is N-[[5-(5-chloro-2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-(5-chloro-2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-(5-chloro-2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine is COc1ccc(Cl)cc1-c1ocnc1CNC(C)(C)C.
What is the InChIKey of N-[[5-(5-chloro-2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is GCWOPRPDHYWZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-15(2,3)18-8-12-14(20-9-17-12)11-7-10(16)5-6-13(11)19-4/h5-7,9,18H,8H2,1-4H3.
What are the key properties of N-[[5-(5-chloro-2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[5-(5-chloro-2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 294.78 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(5-chloro-2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 79145577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).