1-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-pyrimidin-2-ylurea

C17H16N6O2 — CID 139412282

IUPAC1-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-pyrimidin-2-ylurea
SMILESCc1nc(-c2ccc3c(c2)CCC3NC(=O)Nc2ncccn2)no1
InChIInChI=1S/C17H16N6O2/c1-10-20-15(23-25-10)12-3-5-13-11(9-12)4-6-14(13)21-17(24)22-16-18-7-2-8-19-16/h2-3,5,7-9,14H,4,6H2,1H3,(H2,18,19,21,22,24)
InChIKeyVSIOTBAXOGFWIT-UHFFFAOYSA-N
MW336.36 g/mol
LogP2.64
Rot. Bonds3

About 1-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-pyrimidin-2-ylurea

1-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-pyrimidin-2-ylurea (PubChem CID 139412282) has the molecular formula C17H16N6O2 and a molecular weight of 336.36 g/mol. Its IUPAC name is 1-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-pyrimidin-2-ylurea.

Molecular Properties

Compound Name1-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-pyrimidin-2-ylurea
PubChem CID139412282
Molecular FormulaC17H16N6O2
Molecular Weight336.36 g/mol
Exact Mass336.13
IUPAC Name1-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-pyrimidin-2-ylurea
SMILESCc1nc(-c2ccc3c(c2)CCC3NC(=O)Nc2ncccn2)no1
InChIInChI=1S/C17H16N6O2/c1-10-20-15(23-25-10)12-3-5-13-11(9-12)4-6-14(13)21-17(24)22-16-18-7-2-8-19-16/h2-3,5,7-9,14H,4,6H2,1H3,(H2,18,19,21,22,24)
InChIKeyVSIOTBAXOGFWIT-UHFFFAOYSA-N
XLogP2.64
TPSA105.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 139412881
2-methyl-N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1,3-oxazole-5-carboxamide
CID 139412361
3-methyl-N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1,2,4-oxadiazole-5-carboxamide
CID 139412365
2-methylpropyl N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate
CID 139424967
N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 139412646
5-methyl-N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1H-pyrazole-4-carboxamide
CID 139412194
2,2-dimethyl-N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-3H-pyridine-4-carboxamide
CID 155277877
2,2-difluoro-N-[(1R)-5-[5-(trideuteriomethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]acetamide
CID 139412601
(R)-2-methyl-N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]propane-2-sulfinamide
CID 170957742
1-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-(6-propan-2-yl-2-pyridinyl)urea
CID 177230114
N-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,3-oxazole-5-carboxamide
CID 139412526
N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-methyl-1,3-oxazole-5-carboxamide
CID 139412569

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-pyrimidin-2-ylurea?
The IUPAC name of 1-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-pyrimidin-2-ylurea (CID 139412282) is 1-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-pyrimidin-2-ylurea.
What is the SMILES notation for 1-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-pyrimidin-2-ylurea?
The canonical SMILES for 1-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-pyrimidin-2-ylurea is Cc1nc(-c2ccc3c(c2)CCC3NC(=O)Nc2ncccn2)no1.
What is the InChIKey of 1-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-pyrimidin-2-ylurea?
The InChIKey is VSIOTBAXOGFWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O2/c1-10-20-15(23-25-10)12-3-5-13-11(9-12)4-6-14(13)21-17(24)22-16-18-7-2-8-19-16/h2-3,5,7-9,14H,4,6H2,1H3,(H2,18,19,21,22,24).
What are the key properties of 1-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-pyrimidin-2-ylurea?
1-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-pyrimidin-2-ylurea has a molecular weight of 336.36 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-pyrimidin-2-ylurea is sourced from PubChem (CID 139412282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).