2,3-dihydroindol-1-yl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-5-yl]methanone

C17H15N5O2 — CID 109266139

IUPAC2,3-dihydroindol-1-yl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-5-yl]methanone
SMILESCc1cc(Nc2ncc(C(=O)N3CCc4ccccc43)cn2)no1
InChIInChI=1S/C17H15N5O2/c1-11-8-15(21-24-11)20-17-18-9-13(10-19-17)16(23)22-7-6-12-4-2-3-5-14(12)22/h2-5,8-10H,6-7H2,1H3,(H,18,19,20,21)
InChIKeyBTLUCWCTGPILMM-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.72
Rot. Bonds3

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

2,3-dihydroindol-1-yl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-5-yl]methanone (PubChem CID 109266139) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-5-yl]methanone
PubChem CID109266139
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC Name2,3-dihydroindol-1-yl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-5-yl]methanone
SMILESCc1cc(Nc2ncc(C(=O)N3CCc4ccccc43)cn2)no1
InChIInChI=1S/C17H15N5O2/c1-11-8-15(21-24-11)20-17-18-9-13(10-19-17)16(23)22-7-6-12-4-2-3-5-14(12)22/h2-5,8-10H,6-7H2,1H3,(H,18,19,20,21)
InChIKeyBTLUCWCTGPILMM-UHFFFAOYSA-N
XLogP2.72
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dihydro-1H-isoquinolin-2-yl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-5-yl]methanone
CID 109259727
2,3-dihydroindol-1-yl-[2-(2-methylanilino)pyrimidin-5-yl]methanone
CID 109265381
2,3-dihydroindol-1-yl-[2-(2,4,6-trimethylanilino)pyrimidin-5-yl]methanone
CID 109266071
(2-anilinopyrimidin-5-yl)-(2,3-dihydroindol-1-yl)methanone
CID 109265177
2,3-dihydroindol-1-yl-[2-(4-methoxyanilino)pyrimidin-5-yl]methanone
CID 109266092
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109266119
2-(2,3-dihydroindol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide
CID 109266221
[2-(2,4-difluoroanilino)pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109266122
2,3-dihydroindol-1-yl-[2-[(3-methylphenyl)methylamino]pyrimidin-5-yl]methanone
CID 109255992
[2-[4-(diethylamino)anilino]pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109266112
[2-(5-chloro-2-methylanilino)pyrimidin-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109266246
(2R)-2-(2,3-dihydroindol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 9432295

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-5-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-5-yl]methanone (CID 109266139) is 2,3-dihydroindol-1-yl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-5-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-5-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-5-yl]methanone is Cc1cc(Nc2ncc(C(=O)N3CCc4ccccc43)cn2)no1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-5-yl]methanone?
The InChIKey is BTLUCWCTGPILMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c1-11-8-15(21-24-11)20-17-18-9-13(10-19-17)16(23)22-7-6-12-4-2-3-5-14(12)22/h2-5,8-10H,6-7H2,1H3,(H,18,19,20,21).
What are the key properties of 2,3-dihydroindol-1-yl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-5-yl]methanone?
2,3-dihydroindol-1-yl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-5-yl]methanone has a molecular weight of 321.34 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-5-yl]methanone is sourced from PubChem (CID 109266139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).