(1S)-N-[(2R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-6-fluoro-2,3-dihydro-1H-inden-1-amine

C17H21FN2O — CID 97322672

IUPAC(1S)-N-[(2R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-6-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESCc1noc(C)c1C[C@@H](C)N[C@H]1CCc2ccc(F)cc21
InChIInChI=1S/C17H21FN2O/c1-10(8-15-11(2)20-21-12(15)3)19-17-7-5-13-4-6-14(18)9-16(13)17/h4,6,9-10,17,19H,5,7-8H2,1-3H3/t10-,17+/m1/s1
InChIKeyCDCZCTDCRYKYMP-QGHHPUGFSA-N
MW288.37 g/mol
LogP3.64
Rot. Bonds4

About (1S)-N-[(2R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-6-fluoro-2,3-dihydro-1H-inden-1-amine

(1S)-N-[(2R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-6-fluoro-2,3-dihydro-1H-inden-1-amine (PubChem CID 97322672) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is (1S)-N-[(2R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-6-fluoro-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1S)-N-[(2R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-6-fluoro-2,3-dihydro-1H-inden-1-amine
PubChem CID97322672
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC Name(1S)-N-[(2R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-6-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESCc1noc(C)c1C[C@@H](C)N[C@H]1CCc2ccc(F)cc21
InChIInChI=1S/C17H21FN2O/c1-10(8-15-11(2)20-21-12(15)3)19-17-7-5-13-4-6-14(18)9-16(13)17/h4,6,9-10,17,19H,5,7-8H2,1-3H3/t10-,17+/m1/s1
InChIKeyCDCZCTDCRYKYMP-QGHHPUGFSA-N
XLogP3.64
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(2R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-6-fluoro-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (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) is (1S)-N-[(2R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-6-fluoro-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1S)-N-[(2R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-6-fluoro-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1S)-N-[(2R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-6-fluoro-2,3-dihydro-1H-inden-1-amine is Cc1noc(C)c1C[C@@H](C)N[C@H]1CCc2ccc(F)cc21.
What is the InChIKey of (1S)-N-[(2R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-6-fluoro-2,3-dihydro-1H-inden-1-amine?
The InChIKey is CDCZCTDCRYKYMP-QGHHPUGFSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-10(8-15-11(2)20-21-12(15)3)19-17-7-5-13-4-6-14(18)9-16(13)17/h4,6,9-10,17,19H,5,7-8H2,1-3H3/t10-,17+/m1/s1.
What are the key properties of (1S)-N-[(2R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-6-fluoro-2,3-dihydro-1H-inden-1-amine?
(1S)-N-[(2R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-6-fluoro-2,3-dihydro-1H-inden-1-amine has a molecular weight of 288.37 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(2R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-6-fluoro-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 97322672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).