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

C16H21N3O — CID 102673240

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-methyl-2,3-dihydroindol-5-yl)methanamine
SMILESCc1nc(CNCc2ccc3c(c2)CCN3C)oc1C
InChIInChI=1S/C16H21N3O/c1-11-12(2)20-16(18-11)10-17-9-13-4-5-15-14(8-13)6-7-19(15)3/h4-5,8,17H,6-7,9-10H2,1-3H3
InChIKeyPBCOCGRWEZEUOD-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.57
Rot. Bonds4

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

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-methyl-2,3-dihydroindol-5-yl)methanamine (PubChem CID 102673240) 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]-1-(1-methyl-2,3-dihydroindol-5-yl)methanamine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-methyl-2,3-dihydroindol-5-yl)methanamine
PubChem CID102673240
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-methyl-2,3-dihydroindol-5-yl)methanamine
SMILESCc1nc(CNCc2ccc3c(c2)CCN3C)oc1C
InChIInChI=1S/C16H21N3O/c1-11-12(2)20-16(18-11)10-17-9-13-4-5-15-14(8-13)6-7-19(15)3/h4-5,8,17H,6-7,9-10H2,1-3H3
InChIKeyPBCOCGRWEZEUOD-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(3-methylphenyl)methyl]methanamine
CID 62094945
1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 55204405
1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 103884310
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 62095155
1-(1-methyl-2,3-dihydroindol-5-yl)-N-(thiophen-3-ylmethyl)methanamine
CID 63247710
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-1-amine
CID 62096654
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]prop-2-en-1-amine
CID 62070317
1-(2,2-dimethylcyclopropyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]methanamine
CID 103838354
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine
CID 62095490
3-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102904073
N-[(2-chlorophenyl)methyl]-1-(1-methyl-2,3-dihydroindol-5-yl)methanamine
CID 62097009
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 62096486

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-methyl-2,3-dihydroindol-5-yl)methanamine?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-methyl-2,3-dihydroindol-5-yl)methanamine (CID 102673240) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-methyl-2,3-dihydroindol-5-yl)methanamine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-methyl-2,3-dihydroindol-5-yl)methanamine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-methyl-2,3-dihydroindol-5-yl)methanamine is Cc1nc(CNCc2ccc3c(c2)CCN3C)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-methyl-2,3-dihydroindol-5-yl)methanamine?
The InChIKey is PBCOCGRWEZEUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11-12(2)20-16(18-11)10-17-9-13-4-5-15-14(8-13)6-7-19(15)3/h4-5,8,17H,6-7,9-10H2,1-3H3.
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-methyl-2,3-dihydroindol-5-yl)methanamine?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-methyl-2,3-dihydroindol-5-yl)methanamine has a molecular weight of 271.36 g/mol, XLogP of 2.57, 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]-1-(1-methyl-2,3-dihydroindol-5-yl)methanamine is sourced from PubChem (CID 102673240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).