[5-(3-phenylpropyl)-1,3-oxazol-2-yl]methanamine

C13H16N2O — CID 65180073

IUPAC[5-(3-phenylpropyl)-1,3-oxazol-2-yl]methanamine
SMILESNCc1ncc(CCCc2ccccc2)o1
InChIInChI=1S/C13H16N2O/c14-9-13-15-10-12(16-13)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,10H,4,7-9,14H2
InChIKeySIRNHDFVFGNMKB-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.31
Rot. Bonds5

About [5-(3-phenylpropyl)-1,3-oxazol-2-yl]methanamine

[5-(3-phenylpropyl)-1,3-oxazol-2-yl]methanamine (PubChem CID 65180073) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is [5-(3-phenylpropyl)-1,3-oxazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(3-phenylpropyl)-1,3-oxazol-2-yl]methanamine
PubChem CID65180073
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name[5-(3-phenylpropyl)-1,3-oxazol-2-yl]methanamine
SMILESNCc1ncc(CCCc2ccccc2)o1
InChIInChI=1S/C13H16N2O/c14-9-13-15-10-12(16-13)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,10H,4,7-9,14H2
InChIKeySIRNHDFVFGNMKB-UHFFFAOYSA-N
XLogP2.31
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloropropyl)-5-(3-phenylpropyl)-1,3-oxazole
CID 65180237
2-[5-(2-phenylethyl)-1,3-oxazol-2-yl]ethanamine
CID 65178534
2-methyl-N-[[5-(3-phenylpropyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65184071
1-[5-(3-phenylpropyl)-1,3-oxazol-2-yl]ethanamine
CID 65179120
N-[3-[5-(3-phenylpropyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 65187240
3-(5-benzyl-1,3-oxazol-2-yl)propan-1-amine
CID 115004084
2-(1-chloroethyl)-5-(3-phenylpropyl)-1,3-oxazole
CID 65180038
3-[[5-(3-aminopropyl)-1,3-oxazol-2-yl]methyl]phenol
CID 115006523
[5-(4-phenylbutylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 102630594
3-[2-[(4-bromophenyl)methyl]-1,3-oxazol-5-yl]propan-1-amine
CID 115086975
1,4-bis(3-phenylpropyl)benzene
CID 59467322
CID 159131095
CID 159131095

Frequently Asked Questions

What is the IUPAC name of [5-(3-phenylpropyl)-1,3-oxazol-2-yl]methanamine?
The IUPAC name of [5-(3-phenylpropyl)-1,3-oxazol-2-yl]methanamine (CID 65180073) is [5-(3-phenylpropyl)-1,3-oxazol-2-yl]methanamine.
What is the SMILES notation for [5-(3-phenylpropyl)-1,3-oxazol-2-yl]methanamine?
The canonical SMILES for [5-(3-phenylpropyl)-1,3-oxazol-2-yl]methanamine is NCc1ncc(CCCc2ccccc2)o1.
What is the InChIKey of [5-(3-phenylpropyl)-1,3-oxazol-2-yl]methanamine?
The InChIKey is SIRNHDFVFGNMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c14-9-13-15-10-12(16-13)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,10H,4,7-9,14H2.
What are the key properties of [5-(3-phenylpropyl)-1,3-oxazol-2-yl]methanamine?
[5-(3-phenylpropyl)-1,3-oxazol-2-yl]methanamine has a molecular weight of 216.28 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-phenylpropyl)-1,3-oxazol-2-yl]methanamine is sourced from PubChem (CID 65180073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).