5-amino-6-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-1,3-dihydroindol-2-one

C14H16N4O2 — CID 43588157

IUPAC5-amino-6-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-1,3-dihydroindol-2-one
SMILESCc1cc(CN(C)c2cc3c(cc2N)CC(=O)N3)no1
InChIInChI=1S/C14H16N4O2/c1-8-3-10(17-20-8)7-18(2)13-6-12-9(4-11(13)15)5-14(19)16-12/h3-4,6H,5,7,15H2,1-2H3,(H,16,19)
InChIKeyXXVBZIWNCQEFLD-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.70
Rot. Bonds3

About 5-amino-6-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-1,3-dihydroindol-2-one

5-amino-6-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-1,3-dihydroindol-2-one (PubChem CID 43588157) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 5-amino-6-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-amino-6-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-1,3-dihydroindol-2-one
PubChem CID43588157
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name5-amino-6-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-1,3-dihydroindol-2-one
SMILESCc1cc(CN(C)c2cc3c(cc2N)CC(=O)N3)no1
InChIInChI=1S/C14H16N4O2/c1-8-3-10(17-20-8)7-18(2)13-6-12-9(4-11(13)15)5-14(19)16-12/h3-4,6H,5,7,15H2,1-2H3,(H,16,19)
InChIKeyXXVBZIWNCQEFLD-UHFFFAOYSA-N
XLogP1.70
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-6-[2-(dimethylamino)ethyl-methylamino]-1,3-dihydroindol-2-one
CID 63694273
1-N-methyl-1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-methylsulfonylbenzene-1,2-diamine
CID 43588143
5-amino-6-[methyl(2-propan-2-yloxyethyl)amino]-1,3-dihydroindol-2-one
CID 81059680
4-chloro-2-N-methyl-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,2-diamine
CID 113315624
5-amino-6-[bis(2-methylpropyl)amino]-1,3-dihydroindol-2-one
CID 43587844
5-amino-6-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-1,3-dihydroindol-2-one
CID 113475446
2-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)-methylamino]-N-cyclopropylacetamide
CID 43577859
5-amino-6-[ethyl(propyl)amino]-1,3-dihydroindol-2-one
CID 43451835
1-N,4-dimethyl-1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,3-diamine
CID 62911287
6-amino-7-[2-hydroxyethyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 43455612
6-amino-7-[methyl(2-methylpropyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 43383607
5-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one
CID 110646443

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-amino-6-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-1,3-dihydroindol-2-one (CID 43588157) is 5-amino-6-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-amino-6-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-amino-6-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-1,3-dihydroindol-2-one is Cc1cc(CN(C)c2cc3c(cc2N)CC(=O)N3)no1.
What is the InChIKey of 5-amino-6-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-1,3-dihydroindol-2-one?
The InChIKey is XXVBZIWNCQEFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-8-3-10(17-20-8)7-18(2)13-6-12-9(4-11(13)15)5-14(19)16-12/h3-4,6H,5,7,15H2,1-2H3,(H,16,19).
What are the key properties of 5-amino-6-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-1,3-dihydroindol-2-one?
5-amino-6-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-1,3-dihydroindol-2-one has a molecular weight of 272.31 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 43588157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).