1-[2-[(3-methylphenyl)methyl]-1,3-oxazol-4-yl]propan-2-amine

C14H18N2O — CID 115083806

IUPAC1-[2-[(3-methylphenyl)methyl]-1,3-oxazol-4-yl]propan-2-amine
SMILESCc1cccc(Cc2nc(CC(C)N)co2)c1
InChIInChI=1S/C14H18N2O/c1-10-4-3-5-12(6-10)8-14-16-13(9-17-14)7-11(2)15/h3-6,9,11H,7-8,15H2,1-2H3
InChIKeyUJNWRLJOWXTZGR-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.46
Rot. Bonds4

About 1-[2-[(3-methylphenyl)methyl]-1,3-oxazol-4-yl]propan-2-amine

1-[2-[(3-methylphenyl)methyl]-1,3-oxazol-4-yl]propan-2-amine (PubChem CID 115083806) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-[2-[(3-methylphenyl)methyl]-1,3-oxazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[2-[(3-methylphenyl)methyl]-1,3-oxazol-4-yl]propan-2-amine
PubChem CID115083806
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-[2-[(3-methylphenyl)methyl]-1,3-oxazol-4-yl]propan-2-amine
SMILESCc1cccc(Cc2nc(CC(C)N)co2)c1
InChIInChI=1S/C14H18N2O/c1-10-4-3-5-12(6-10)8-14-16-13(9-17-14)7-11(2)15/h3-6,9,11H,7-8,15H2,1-2H3
InChIKeyUJNWRLJOWXTZGR-UHFFFAOYSA-N
XLogP2.46
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]propan-2-amine
CID 115084121
1-[2-[(3-methoxyphenyl)methyl]-1,3-oxazol-4-yl]-N-methylpropan-2-amine
CID 115083827
3-methyl-4-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]butan-2-amine
CID 67601426
3-[[4-(aminomethyl)-1,3-oxazol-2-yl]methyl]phenol
CID 115083777
1-[5-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 104634676
4-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazole
CID 163606669
3-[4-(2-aminopropyl)-1,3-oxazol-2-yl]phenol
CID 115084358
1-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 62653786
(2S)-2-amino-3-methyl-3-[5-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]butan-1-ol
CID 70020571
4-methyl-1-(3-methylphenyl)pentan-2-amine
CID 59323309
N-methyl-1-[2-[(3-methylphenyl)methyl]-1,3-thiazol-4-yl]propan-2-amine
CID 115089214
(1S,2R)-1-amino-1-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 104965432

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-methylphenyl)methyl]-1,3-oxazol-4-yl]propan-2-amine?
The IUPAC name of 1-[2-[(3-methylphenyl)methyl]-1,3-oxazol-4-yl]propan-2-amine (CID 115083806) is 1-[2-[(3-methylphenyl)methyl]-1,3-oxazol-4-yl]propan-2-amine.
What is the SMILES notation for 1-[2-[(3-methylphenyl)methyl]-1,3-oxazol-4-yl]propan-2-amine?
The canonical SMILES for 1-[2-[(3-methylphenyl)methyl]-1,3-oxazol-4-yl]propan-2-amine is Cc1cccc(Cc2nc(CC(C)N)co2)c1.
What is the InChIKey of 1-[2-[(3-methylphenyl)methyl]-1,3-oxazol-4-yl]propan-2-amine?
The InChIKey is UJNWRLJOWXTZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10-4-3-5-12(6-10)8-14-16-13(9-17-14)7-11(2)15/h3-6,9,11H,7-8,15H2,1-2H3.
What are the key properties of 1-[2-[(3-methylphenyl)methyl]-1,3-oxazol-4-yl]propan-2-amine?
1-[2-[(3-methylphenyl)methyl]-1,3-oxazol-4-yl]propan-2-amine has a molecular weight of 230.31 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-methylphenyl)methyl]-1,3-oxazol-4-yl]propan-2-amine is sourced from PubChem (CID 115083806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).