[(4S)-8-(1,3-oxazol-5-yl)-3,4-dihydro-2H-chromen-4-yl]methanamine

C13H14N2O2 — CID 171470395

IUPAC[(4S)-8-(1,3-oxazol-5-yl)-3,4-dihydro-2H-chromen-4-yl]methanamine
SMILESNC[C@H]1CCOc2c(-c3cnco3)cccc21
InChIInChI=1S/C13H14N2O2/c14-6-9-4-5-16-13-10(9)2-1-3-11(13)12-7-15-8-17-12/h1-3,7-9H,4-6,14H2/t9-/m1/s1
InChIKeyKXHODNIZYQJSHW-SECBINFHSA-N
MW230.27 g/mol
LogP2.17
Rot. Bonds2

About [(4S)-8-(1,3-oxazol-5-yl)-3,4-dihydro-2H-chromen-4-yl]methanamine

[(4S)-8-(1,3-oxazol-5-yl)-3,4-dihydro-2H-chromen-4-yl]methanamine (PubChem CID 171470395) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is [(4S)-8-(1,3-oxazol-5-yl)-3,4-dihydro-2H-chromen-4-yl]methanamine.

Molecular Properties

Compound Name[(4S)-8-(1,3-oxazol-5-yl)-3,4-dihydro-2H-chromen-4-yl]methanamine
PubChem CID171470395
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name[(4S)-8-(1,3-oxazol-5-yl)-3,4-dihydro-2H-chromen-4-yl]methanamine
SMILESNC[C@H]1CCOc2c(-c3cnco3)cccc21
InChIInChI=1S/C13H14N2O2/c14-6-9-4-5-16-13-10(9)2-1-3-11(13)12-7-15-8-17-12/h1-3,7-9H,4-6,14H2/t9-/m1/s1
InChIKeyKXHODNIZYQJSHW-SECBINFHSA-N
XLogP2.17
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(4S)-8-phenyl-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 165409099
[(4R)-8-pyrimidin-4-yl-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 165409286
[(4R)-8-(2,5-dimethyl-4-pyridinyl)-3,4-dihydro-2H-chromen-4-yl]methanamine;dihydrochloride
CID 165409354
(8-bromo-3,4-dihydro-2H-chromen-4-yl)methanamine
CID 82387181
2-[4-(aminomethyl)-3,4-dihydro-2H-chromen-8-yl]acetic acid
CID 19840598
(8-pyridin-4-yl-3,4-dihydro-2H-chromen-4-yl)methylcarbamic acid
CID 174232180
N-methyl-1-[(4R)-8-pyridazin-4-yl-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 165409301
(9-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanamine
CID 82241614
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
9-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43155016
1-[8-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-yl]-N-methylmethanamine
CID 165409290

Frequently Asked Questions

What is the IUPAC name of [(4S)-8-(1,3-oxazol-5-yl)-3,4-dihydro-2H-chromen-4-yl]methanamine?
The IUPAC name of [(4S)-8-(1,3-oxazol-5-yl)-3,4-dihydro-2H-chromen-4-yl]methanamine (CID 171470395) is [(4S)-8-(1,3-oxazol-5-yl)-3,4-dihydro-2H-chromen-4-yl]methanamine.
What is the SMILES notation for [(4S)-8-(1,3-oxazol-5-yl)-3,4-dihydro-2H-chromen-4-yl]methanamine?
The canonical SMILES for [(4S)-8-(1,3-oxazol-5-yl)-3,4-dihydro-2H-chromen-4-yl]methanamine is NC[C@H]1CCOc2c(-c3cnco3)cccc21.
What is the InChIKey of [(4S)-8-(1,3-oxazol-5-yl)-3,4-dihydro-2H-chromen-4-yl]methanamine?
The InChIKey is KXHODNIZYQJSHW-SECBINFHSA-N. The full InChI is InChI=1S/C13H14N2O2/c14-6-9-4-5-16-13-10(9)2-1-3-11(13)12-7-15-8-17-12/h1-3,7-9H,4-6,14H2/t9-/m1/s1.
What are the key properties of [(4S)-8-(1,3-oxazol-5-yl)-3,4-dihydro-2H-chromen-4-yl]methanamine?
[(4S)-8-(1,3-oxazol-5-yl)-3,4-dihydro-2H-chromen-4-yl]methanamine has a molecular weight of 230.27 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-8-(1,3-oxazol-5-yl)-3,4-dihydro-2H-chromen-4-yl]methanamine is sourced from PubChem (CID 171470395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).