N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine

C17H19N3O — CID 65333601

IUPACN-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESCc1cc(CNC2CCCc3c2[nH]c2ccccc32)no1
InChIInChI=1S/C17H19N3O/c1-11-9-12(20-21-11)10-18-16-8-4-6-14-13-5-2-3-7-15(13)19-17(14)16/h2-3,5,7,9,16,18-19H,4,6,8,10H2,1H3
InChIKeyBPJHQKCOARSELQ-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.63
Rot. Bonds3

About N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine

N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine (PubChem CID 65333601) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine.

Molecular Properties

Compound NameN-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine
PubChem CID65333601
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESCc1cc(CNC2CCCc3c2[nH]c2ccccc32)no1
InChIInChI=1S/C17H19N3O/c1-11-9-12(20-21-11)10-18-16-8-4-6-14-13-5-2-3-7-15(13)19-17(14)16/h2-3,5,7,9,16,18-19H,4,6,8,10H2,1H3
InChIKeyBPJHQKCOARSELQ-UHFFFAOYSA-N
XLogP3.63
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-(pyridin-3-ylmethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65333441
N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 11219296
N-(2,2-dimethylpropyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65334003
(1S)-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 95195713
N',N'-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)propane-1,3-diamine
CID 65334049
(1S)-N-benzyl-6-phenyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 1381328
methyl 2-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)acetate
CID 65333695
N-[(2-methylcyclopentyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 107416848
N',N'-diethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)ethane-1,2-diamine
CID 65333850
2-methyl-3-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)propane-1,2-diol
CID 66168801
N-[2-(4-cyclopropylphenyl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 176892760
N'-ethyl-N'-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)ethane-1,2-diamine
CID 65334005

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The IUPAC name of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine (CID 65333601) is N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine.
What is the SMILES notation for N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The canonical SMILES for N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine is Cc1cc(CNC2CCCc3c2[nH]c2ccccc32)no1.
What is the InChIKey of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The InChIKey is BPJHQKCOARSELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-11-9-12(20-21-11)10-18-16-8-4-6-14-13-5-2-3-7-15(13)19-17(14)16/h2-3,5,7,9,16,18-19H,4,6,8,10H2,1H3.
What are the key properties of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine has a molecular weight of 281.36 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine is sourced from PubChem (CID 65333601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).