N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-pyrrolidin-1-ylaniline

C16H21N3O — CID 63179959

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-pyrrolidin-1-ylaniline
SMILESCc1nc(CNc2ccc(N3CCCC3)cc2)oc1C
InChIInChI=1S/C16H21N3O/c1-12-13(2)20-16(18-12)11-17-14-5-7-15(8-6-14)19-9-3-4-10-19/h5-8,17H,3-4,9-11H2,1-2H3
InChIKeyIEGIWNZCGYBVRT-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.50
Rot. Bonds4

About N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-pyrrolidin-1-ylaniline

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-pyrrolidin-1-ylaniline (PubChem CID 63179959) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-pyrrolidin-1-ylaniline.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-pyrrolidin-1-ylaniline
PubChem CID63179959
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-pyrrolidin-1-ylaniline
SMILESCc1nc(CNc2ccc(N3CCCC3)cc2)oc1C
InChIInChI=1S/C16H21N3O/c1-12-13(2)20-16(18-12)11-17-14-5-7-15(8-6-14)19-9-3-4-10-19/h5-8,17H,3-4,9-11H2,1-2H3
InChIKeyIEGIWNZCGYBVRT-UHFFFAOYSA-N
XLogP3.50
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[(5-ethylfuran-2-yl)methyl]-4-pyrrolidin-1-ylaniline
CID 62347242
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethoxy)aniline
CID 60972691
N-[(3-methylphenyl)methyl]-4-piperidin-1-ylaniline
CID 39380681
4-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluoroaniline
CID 54955535
N-benzyl-4-pyrrolidin-1-ylaniline
CID 918774
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-piperidin-1-ylaniline
CID 43715681
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-piperidin-1-ylaniline
CID 79568946
N-ethyl-4-piperidin-1-ylaniline;dihydrochloride
CID 23366971
N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-piperidin-1-ylaniline
CID 110652691
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-morpholin-4-ylaniline
CID 65439905
N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-pyrrolidin-1-ylaniline
CID 110652866
2,5-dimethyl-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-4-carboxamide
CID 126814286

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-pyrrolidin-1-ylaniline?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-pyrrolidin-1-ylaniline (CID 63179959) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-pyrrolidin-1-ylaniline.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-pyrrolidin-1-ylaniline?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-pyrrolidin-1-ylaniline is Cc1nc(CNc2ccc(N3CCCC3)cc2)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-pyrrolidin-1-ylaniline?
The InChIKey is IEGIWNZCGYBVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12-13(2)20-16(18-12)11-17-14-5-7-15(8-6-14)19-9-3-4-10-19/h5-8,17H,3-4,9-11H2,1-2H3.
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-pyrrolidin-1-ylaniline?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-pyrrolidin-1-ylaniline has a molecular weight of 271.36 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-pyrrolidin-1-ylaniline is sourced from PubChem (CID 63179959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).