N-methyl-3-[4-(1,3-oxazol-5-yl)phenyl]propan-1-amine

C13H16N2O — CID 115029708

IUPACN-methyl-3-[4-(1,3-oxazol-5-yl)phenyl]propan-1-amine
SMILESCNCCCc1ccc(-c2cnco2)cc1
InChIInChI=1S/C13H16N2O/c1-14-8-2-3-11-4-6-12(7-5-11)13-9-15-10-16-13/h4-7,9-10,14H,2-3,8H2,1H3
InChIKeyWRMDNKTYYQGJRC-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.49
Rot. Bonds5

About N-methyl-3-[4-(1,3-oxazol-5-yl)phenyl]propan-1-amine

N-methyl-3-[4-(1,3-oxazol-5-yl)phenyl]propan-1-amine (PubChem CID 115029708) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is N-methyl-3-[4-(1,3-oxazol-5-yl)phenyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[4-(1,3-oxazol-5-yl)phenyl]propan-1-amine
PubChem CID115029708
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC NameN-methyl-3-[4-(1,3-oxazol-5-yl)phenyl]propan-1-amine
SMILESCNCCCc1ccc(-c2cnco2)cc1
InChIInChI=1S/C13H16N2O/c1-14-8-2-3-11-4-6-12(7-5-11)13-9-15-10-16-13/h4-7,9-10,14H,2-3,8H2,1H3
InChIKeyWRMDNKTYYQGJRC-UHFFFAOYSA-N
XLogP2.49
TPSA38.06 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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(1,3-oxazol-5-yl)phenyl]ethanol
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N-methyl-3-(4-methylphenyl)propan-1-amine
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3-[4-(1H-imidazol-5-yl)phenyl]-N-methylpropan-1-amine
CID 115029297
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CID 159378893
3-(1,3-benzoxazol-5-yl)-N-methylpropan-1-amine
CID 82490943
N-ethyl-N-methyl-4-(1,3-oxazol-5-yl)aniline
CID 143735141
3-[3-(1,3-oxazol-5-yl)-5-propylphenyl]propan-1-amine
CID 163923919
N-(3-methylbutan-2-yl)-4-(1,3-oxazol-5-yl)aniline
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CID 22316930

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[4-(1,3-oxazol-5-yl)phenyl]propan-1-amine?
The IUPAC name of N-methyl-3-[4-(1,3-oxazol-5-yl)phenyl]propan-1-amine (CID 115029708) is N-methyl-3-[4-(1,3-oxazol-5-yl)phenyl]propan-1-amine.
What is the SMILES notation for N-methyl-3-[4-(1,3-oxazol-5-yl)phenyl]propan-1-amine?
The canonical SMILES for N-methyl-3-[4-(1,3-oxazol-5-yl)phenyl]propan-1-amine is CNCCCc1ccc(-c2cnco2)cc1.
What is the InChIKey of N-methyl-3-[4-(1,3-oxazol-5-yl)phenyl]propan-1-amine?
The InChIKey is WRMDNKTYYQGJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-14-8-2-3-11-4-6-12(7-5-11)13-9-15-10-16-13/h4-7,9-10,14H,2-3,8H2,1H3.
What are the key properties of N-methyl-3-[4-(1,3-oxazol-5-yl)phenyl]propan-1-amine?
N-methyl-3-[4-(1,3-oxazol-5-yl)phenyl]propan-1-amine has a molecular weight of 216.28 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[4-(1,3-oxazol-5-yl)phenyl]propan-1-amine is sourced from PubChem (CID 115029708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).