1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]urea

C17H20FN3O2 — CID 95905085

IUPAC1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]urea
SMILESCc1noc(C)c1[C@H](C)NC(=O)N[C@H]1CCc2ccc(F)cc21
InChIInChI=1S/C17H20FN3O2/c1-9(16-10(2)21-23-11(16)3)19-17(22)20-15-7-5-12-4-6-13(18)8-14(12)15/h4,6,8-9,15H,5,7H2,1-3H3,(H2,19,20,22)/t9-,15-/m0/s1
InChIKeyFSIBQVJSWKUDFL-VFZGTOFNSA-N
MW317.36 g/mol
LogP3.48
Rot. Bonds3

About 1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]urea

1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]urea (PubChem CID 95905085) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]urea.

Molecular Properties

Compound Name1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]urea
PubChem CID95905085
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]urea
SMILESCc1noc(C)c1[C@H](C)NC(=O)N[C@H]1CCc2ccc(F)cc21
InChIInChI=1S/C17H20FN3O2/c1-9(16-10(2)21-23-11(16)3)19-17(22)20-15-7-5-12-4-6-13(18)8-14(12)15/h4,6,8-9,15H,5,7H2,1-3H3,(H2,19,20,22)/t9-,15-/m0/s1
InChIKeyFSIBQVJSWKUDFL-VFZGTOFNSA-N
XLogP3.48
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 111506065
(1S)-N-[(2R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-6-fluoro-2,3-dihydro-1H-inden-1-amine
CID 97322672
1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(1-hydroxypentan-3-yl)urea
CID 111455346
2-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-fluorobenzamide
CID 78961269
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylurea
CID 115626660
1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111480854
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 111631027
1-(2-ethyl-2-hydroxybutyl)-3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)urea
CID 111106634
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,2-difluoroacetamide
CID 103515802
N-[(2S)-1-[[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 95614827
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 47387060
1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618833

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]urea?
The IUPAC name of 1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]urea (CID 95905085) is 1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]urea.
What is the SMILES notation for 1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]urea?
The canonical SMILES for 1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]urea is Cc1noc(C)c1[C@H](C)NC(=O)N[C@H]1CCc2ccc(F)cc21.
What is the InChIKey of 1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]urea?
The InChIKey is FSIBQVJSWKUDFL-VFZGTOFNSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-9(16-10(2)21-23-11(16)3)19-17(22)20-15-7-5-12-4-6-13(18)8-14(12)15/h4,6,8-9,15H,5,7H2,1-3H3,(H2,19,20,22)/t9-,15-/m0/s1.
What are the key properties of 1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]urea?
1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]urea has a molecular weight of 317.36 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]urea is sourced from PubChem (CID 95905085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).