N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2-dimethylpyrrolo[3,2-c]pyridin-4-yl]-N',N'-dimethylethane-1,2-diamine

C18H25N5O — CID 134807385

IUPACN-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2-dimethylpyrrolo[3,2-c]pyridin-4-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCc1noc(C)c1-c1cc2c(cc(C)n2C)c(NCCN(C)C)n1
InChIInChI=1S/C18H25N5O/c1-11-9-14-16(23(11)6)10-15(17-12(2)21-24-13(17)3)20-18(14)19-7-8-22(4)5/h9-10H,7-8H2,1-6H3,(H,19,20)
InChIKeyQOUFEXYMOQCYKC-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.13
Rot. Bonds5

About N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2-dimethylpyrrolo[3,2-c]pyridin-4-yl]-N',N'-dimethylethane-1,2-diamine

N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2-dimethylpyrrolo[3,2-c]pyridin-4-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 134807385) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2-dimethylpyrrolo[3,2-c]pyridin-4-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2-dimethylpyrrolo[3,2-c]pyridin-4-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID134807385
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC NameN-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2-dimethylpyrrolo[3,2-c]pyridin-4-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCc1noc(C)c1-c1cc2c(cc(C)n2C)c(NCCN(C)C)n1
InChIInChI=1S/C18H25N5O/c1-11-9-14-16(23(11)6)10-15(17-12(2)21-24-13(17)3)20-18(14)19-7-8-22(4)5/h9-10H,7-8H2,1-6H3,(H,19,20)
InChIKeyQOUFEXYMOQCYKC-UHFFFAOYSA-N
XLogP3.13
TPSA59.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(3,4-dimethoxyphenyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylethanamine
CID 134807381
4-[4-(2-methoxy-4-pyridinyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
CID 134809472
4-[4-(2-methoxy-3-pyridinyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
CID 134805106
2-[(dimethylamino)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-propan-2-ylfuro[2,3-c]pyridin-7-amine
CID 134808431
4-[2-(dimethylamino)ethylamino]-2,6,7-trimethylpyrido[3,4-d]pyridazine-1,5-dione
CID 24844960
N',N'-dimethyl-N-(3,5,6-trimethylpyrazin-2-yl)ethane-1,2-diamine
CID 23349870
N-[2-(dimethylamino)ethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyridine-2-carboxamide
CID 110129009
3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methylphenyl)methyl]isoquinolin-1-amine
CID 167018053
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N,2-trimethylfuro[2,3-c]pyridin-7-amine
CID 134807405
N-[(3-chlorophenyl)methyl]-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine
CID 129165926
2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]amino]ethanol
CID 117090414
N-[(3-chlorophenyl)methyl]-2-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine
CID 129165980

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2-dimethylpyrrolo[3,2-c]pyridin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2-dimethylpyrrolo[3,2-c]pyridin-4-yl]-N',N'-dimethylethane-1,2-diamine (CID 134807385) is N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2-dimethylpyrrolo[3,2-c]pyridin-4-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2-dimethylpyrrolo[3,2-c]pyridin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2-dimethylpyrrolo[3,2-c]pyridin-4-yl]-N',N'-dimethylethane-1,2-diamine is Cc1noc(C)c1-c1cc2c(cc(C)n2C)c(NCCN(C)C)n1.
What is the InChIKey of N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2-dimethylpyrrolo[3,2-c]pyridin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is QOUFEXYMOQCYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-11-9-14-16(23(11)6)10-15(17-12(2)21-24-13(17)3)20-18(14)19-7-8-22(4)5/h9-10H,7-8H2,1-6H3,(H,19,20).
What are the key properties of N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2-dimethylpyrrolo[3,2-c]pyridin-4-yl]-N',N'-dimethylethane-1,2-diamine?
N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2-dimethylpyrrolo[3,2-c]pyridin-4-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 327.43 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2-dimethylpyrrolo[3,2-c]pyridin-4-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 134807385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).