(1S)-2-[benzyl-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]amino]-1-(furan-2-yl)ethanol

C19H22N2O3 — CID 97005148

IUPAC(1S)-2-[benzyl-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]amino]-1-(furan-2-yl)ethanol
SMILESCc1noc(C)c1CN(Cc1ccccc1)C[C@H](O)c1ccco1
InChIInChI=1S/C19H22N2O3/c1-14-17(15(2)24-20-14)12-21(11-16-7-4-3-5-8-16)13-18(22)19-9-6-10-23-19/h3-10,18,22H,11-13H2,1-2H3/t18-/m0/s1
InChIKeyFTZCDFNUOAGYFK-SFHVURJKSA-N
MW326.40 g/mol
LogP3.62
Rot. Bonds7

About (1S)-2-[benzyl-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]amino]-1-(furan-2-yl)ethanol

(1S)-2-[benzyl-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]amino]-1-(furan-2-yl)ethanol (PubChem CID 97005148) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is (1S)-2-[benzyl-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]amino]-1-(furan-2-yl)ethanol.

Molecular Properties

Compound Name(1S)-2-[benzyl-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]amino]-1-(furan-2-yl)ethanol
PubChem CID97005148
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name(1S)-2-[benzyl-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]amino]-1-(furan-2-yl)ethanol
SMILESCc1noc(C)c1CN(Cc1ccccc1)C[C@H](O)c1ccco1
InChIInChI=1S/C19H22N2O3/c1-14-17(15(2)24-20-14)12-21(11-16-7-4-3-5-8-16)13-18(22)19-9-6-10-23-19/h3-10,18,22H,11-13H2,1-2H3/t18-/m0/s1
InChIKeyFTZCDFNUOAGYFK-SFHVURJKSA-N
XLogP3.62
TPSA62.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-[benzyl-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]amino]-1-(furan-2-yl)ethanol?
The IUPAC name of (1S)-2-[benzyl-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]amino]-1-(furan-2-yl)ethanol (CID 97005148) is (1S)-2-[benzyl-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]amino]-1-(furan-2-yl)ethanol.
What is the SMILES notation for (1S)-2-[benzyl-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]amino]-1-(furan-2-yl)ethanol?
The canonical SMILES for (1S)-2-[benzyl-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]amino]-1-(furan-2-yl)ethanol is Cc1noc(C)c1CN(Cc1ccccc1)C[C@H](O)c1ccco1.
What is the InChIKey of (1S)-2-[benzyl-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]amino]-1-(furan-2-yl)ethanol?
The InChIKey is FTZCDFNUOAGYFK-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-14-17(15(2)24-20-14)12-21(11-16-7-4-3-5-8-16)13-18(22)19-9-6-10-23-19/h3-10,18,22H,11-13H2,1-2H3/t18-/m0/s1.
What are the key properties of (1S)-2-[benzyl-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]amino]-1-(furan-2-yl)ethanol?
(1S)-2-[benzyl-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]amino]-1-(furan-2-yl)ethanol has a molecular weight of 326.40 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[benzyl-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]amino]-1-(furan-2-yl)ethanol is sourced from PubChem (CID 97005148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).