N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1H-pyrrolo[2,3-b]pyridin-6-amine

C15H18N4O — CID 70730131

IUPACN-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESCc1noc(C)c1CCCNc1ccc2cc[nH]c2n1
InChIInChI=1S/C15H18N4O/c1-10-13(11(2)20-19-10)4-3-8-16-14-6-5-12-7-9-17-15(12)18-14/h5-7,9H,3-4,8H2,1-2H3,(H2,16,17,18)
InChIKeyKVSTVRWJTFJCPJ-UHFFFAOYSA-N
MW270.34 g/mol
LogP3.21
Rot. Bonds5

About N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1H-pyrrolo[2,3-b]pyridin-6-amine

N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1H-pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 70730131) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1H-pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

Compound NameN-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
PubChem CID70730131
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESCc1noc(C)c1CCCNc1ccc2cc[nH]c2n1
InChIInChI=1S/C15H18N4O/c1-10-13(11(2)20-19-10)4-3-8-16-14-6-5-12-7-9-17-15(12)18-14/h5-7,9H,3-4,8H2,1-2H3,(H2,16,17,18)
InChIKeyKVSTVRWJTFJCPJ-UHFFFAOYSA-N
XLogP3.21
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-methylquinoxalin-2-amine
CID 133347501
6-chloro-2-cyclopropyl-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyrimidin-4-amine
CID 133419292
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropan-1-amine
CID 23006357
6-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]-N,N-dimethylpyridine-3-carboxamide
CID 133347459
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1H-indole-7-carboxamide
CID 112529888
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 133347428
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 133347496
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1H-indol-6-yl)methanamine
CID 102911385
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 133347670
7-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]quinolin-4-amine
CID 133347532
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133347668
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine
CID 133347534

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
The IUPAC name of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1H-pyrrolo[2,3-b]pyridin-6-amine (CID 70730131) is N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1H-pyrrolo[2,3-b]pyridin-6-amine.
What is the SMILES notation for N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
The canonical SMILES for N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1H-pyrrolo[2,3-b]pyridin-6-amine is Cc1noc(C)c1CCCNc1ccc2cc[nH]c2n1.
What is the InChIKey of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
The InChIKey is KVSTVRWJTFJCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-10-13(11(2)20-19-10)4-3-8-16-14-6-5-12-7-9-17-15(12)18-14/h5-7,9H,3-4,8H2,1-2H3,(H2,16,17,18).
What are the key properties of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1H-pyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 270.34 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1H-pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 70730131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).