N-ethyl-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-amine

C17H23N3O — CID 63300075

IUPACN-ethyl-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-amine
SMILESCCN(Cc1cc(-c2ccc(C)cc2)no1)C1CCNC1
InChIInChI=1S/C17H23N3O/c1-3-20(15-8-9-18-11-15)12-16-10-17(19-21-16)14-6-4-13(2)5-7-14/h4-7,10,15,18H,3,8-9,11-12H2,1-2H3
InChIKeyFUUCPWRLVFZHFU-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.83
Rot. Bonds5

About N-ethyl-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-amine

N-ethyl-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-amine (PubChem CID 63300075) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-ethyl-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-ethyl-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-amine
PubChem CID63300075
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-ethyl-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-amine
SMILESCCN(Cc1cc(-c2ccc(C)cc2)no1)C1CCNC1
InChIInChI=1S/C17H23N3O/c1-3-20(15-8-9-18-11-15)12-16-10-17(19-21-16)14-6-4-13(2)5-7-14/h4-7,10,15,18H,3,8-9,11-12H2,1-2H3
InChIKeyFUUCPWRLVFZHFU-UHFFFAOYSA-N
XLogP2.83
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]amino]acetic acid
CID 60833551
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-propylpiperidin-3-amine
CID 63637151
2-[cyclopropyl-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]amino]propanoic acid
CID 122082994
(3S)-N-benzyl-N-ethylpyrrolidin-3-amine
CID 66569411
N-benzyl-N-ethylpyrrolidin-3-amine
CID 53410837
3-(4-methylphenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole
CID 43348712
N-[(4-methylphenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300569
N-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-3-amine
CID 55244427
(3S)-N,N-diethylpyrrolidin-3-amine
CID 30722524
N-ethyl-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]azetidin-3-amine
CID 66181500
N-ethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-3-amine
CID 63638521
4-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenol
CID 63299452

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-amine?
The IUPAC name of N-ethyl-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-amine (CID 63300075) is N-ethyl-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for N-ethyl-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-amine?
The canonical SMILES for N-ethyl-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-amine is CCN(Cc1cc(-c2ccc(C)cc2)no1)C1CCNC1.
What is the InChIKey of N-ethyl-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-amine?
The InChIKey is FUUCPWRLVFZHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-20(15-8-9-18-11-15)12-16-10-17(19-21-16)14-6-4-13(2)5-7-14/h4-7,10,15,18H,3,8-9,11-12H2,1-2H3.
What are the key properties of N-ethyl-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-amine?
N-ethyl-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-amine has a molecular weight of 285.39 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 63300075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).