[2-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]methanamine

C11H14N2O — CID 115060967

IUPAC[2-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]methanamine
SMILESCc1cccc(C2=NC(CN)CO2)c1
InChIInChI=1S/C11H14N2O/c1-8-3-2-4-9(5-8)11-13-10(6-12)7-14-11/h2-5,10H,6-7,12H2,1H3
InChIKeyLTEBZEVDTMHBNV-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.10
Rot. Bonds2

About [2-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]methanamine

[2-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]methanamine (PubChem CID 115060967) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is [2-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]methanamine
PubChem CID115060967
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name[2-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]methanamine
SMILESCc1cccc(C2=NC(CN)CO2)c1
InChIInChI=1S/C11H14N2O/c1-8-3-2-4-9(5-8)11-13-10(6-12)7-14-11/h2-5,10H,6-7,12H2,1H3
InChIKeyLTEBZEVDTMHBNV-UHFFFAOYSA-N
XLogP1.10
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine
CID 115060983
3-[2-(3-chlorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine
CID 115060985
[2-(3-methylphenyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-yl]methanamine
CID 115066286
4-(4-methylphenyl)-2-[3-[4-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole
CID 67533219
3-(3-methylphenyl)-5,6-dihydro-1,4,2-dioxazine
CID 20698390
(4S)-4-(2-methylpropyl)-2-phenyl-4,5-dihydro-1,3-oxazole
CID 66998047
4-tert-butyl-2-[3-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole
CID 15447611
3-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]benzaldehyde
CID 174694960
3-[2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine
CID 115061053
4-[4-(3-aminopropyl)-4,5-dihydro-1,3-oxazol-2-yl]phenol
CID 136982327
3-[2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine
CID 115061055
(4S)-4-ethyl-2-[6-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole
CID 66556676

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]methanamine?
The IUPAC name of [2-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]methanamine (CID 115060967) is [2-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]methanamine.
What is the SMILES notation for [2-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]methanamine?
The canonical SMILES for [2-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]methanamine is Cc1cccc(C2=NC(CN)CO2)c1.
What is the InChIKey of [2-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]methanamine?
The InChIKey is LTEBZEVDTMHBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-8-3-2-4-9(5-8)11-13-10(6-12)7-14-11/h2-5,10H,6-7,12H2,1H3.
What are the key properties of [2-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]methanamine?
[2-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]methanamine has a molecular weight of 190.25 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]methanamine is sourced from PubChem (CID 115060967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).