N-[[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]prop-2-en-1-amine

C14H18N2O — CID 24715266

IUPACN-[[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]prop-2-en-1-amine
SMILESC=CCNCC1CC(c2ccccc2C)=NO1
InChIInChI=1S/C14H18N2O/c1-3-8-15-10-12-9-14(16-17-12)13-7-5-4-6-11(13)2/h3-7,12,15H,1,8-10H2,2H3
InChIKeyMTUDGPHPKOMRLZ-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.26
Rot. Bonds5

About N-[[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]prop-2-en-1-amine

N-[[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]prop-2-en-1-amine (PubChem CID 24715266) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-[[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]prop-2-en-1-amine
PubChem CID24715266
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-[[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]prop-2-en-1-amine
SMILESC=CCNCC1CC(c2ccccc2C)=NO1
InChIInChI=1S/C14H18N2O/c1-3-8-15-10-12-9-14(16-17-12)13-7-5-4-6-11(13)2/h3-7,12,15H,1,8-10H2,2H3
InChIKeyMTUDGPHPKOMRLZ-UHFFFAOYSA-N
XLogP2.26
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[4,5-Dihydro-3-[4-[1,2,3,6-tetrahydro-1-(acetyl)-4-pyridinyl]phenyl]-5-isoxazolyl]methyl]acetamide
CID 11110612
N,N-dimethyl-1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine
CID 56648505
1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-N,N-dimethylmethanamine
CID 56648594
1-(3-phenyl-5,6-dihydro-4H-1,2-oxazin-6-yl)methanamine
CID 177801393
5-Aminomethyl-3-phenyl-2-isoxazoline
CID 12889668
1-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine
CID 24715265
1-[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine
CID 24715480
N-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]prop-2-en-1-amine
CID 24715614
N-[(2,4-difluorophenyl)methyl]-1-[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine
CID 45950061
N-[(3-fluorophenyl)methyl]-1-[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine
CID 45950063
1-[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 46137699
3-Phenyl-1-oxa-2,7-diazaspiro[4.5]dec-2-ene
CID 56934460

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]prop-2-en-1-amine?
The IUPAC name of N-[[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]prop-2-en-1-amine (CID 24715266) is N-[[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]prop-2-en-1-amine.
What is the SMILES notation for N-[[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]prop-2-en-1-amine?
The canonical SMILES for N-[[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]prop-2-en-1-amine is C=CCNCC1CC(c2ccccc2C)=NO1.
What is the InChIKey of N-[[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]prop-2-en-1-amine?
The InChIKey is MTUDGPHPKOMRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-3-8-15-10-12-9-14(16-17-12)13-7-5-4-6-11(13)2/h3-7,12,15H,1,8-10H2,2H3.
What are the key properties of N-[[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]prop-2-en-1-amine?
N-[[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]prop-2-en-1-amine has a molecular weight of 230.31 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]prop-2-en-1-amine is sourced from PubChem (CID 24715266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).