(3R)-4-[furan-2-ylmethyl(1,3-oxazol-2-yl)amino]-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile

C20H19N3O4 — CID 67641026

IUPAC(3R)-4-[furan-2-ylmethyl(1,3-oxazol-2-yl)amino]-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile
SMILESCC1(C)Oc2ccc(C#N)cc2C(N(Cc2ccco2)c2ncco2)[C@H]1O
InChIInChI=1S/C20H19N3O4/c1-20(2)18(24)17(15-10-13(11-21)5-6-16(15)27-20)23(19-22-7-9-26-19)12-14-4-3-8-25-14/h3-10,17-18,24H,12H2,1-2H3/t17?,18-/m1/s1
InChIKeyZIIBABKVQLAUFB-QRWMCTBCSA-N
MW365.39 g/mol
LogP3.42
Rot. Bonds4

About (3R)-4-[furan-2-ylmethyl(1,3-oxazol-2-yl)amino]-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile

(3R)-4-[furan-2-ylmethyl(1,3-oxazol-2-yl)amino]-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile (PubChem CID 67641026) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is (3R)-4-[furan-2-ylmethyl(1,3-oxazol-2-yl)amino]-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile.

Molecular Properties

Compound Name(3R)-4-[furan-2-ylmethyl(1,3-oxazol-2-yl)amino]-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile
PubChem CID67641026
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name(3R)-4-[furan-2-ylmethyl(1,3-oxazol-2-yl)amino]-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile
SMILESCC1(C)Oc2ccc(C#N)cc2C(N(Cc2ccco2)c2ncco2)[C@H]1O
InChIInChI=1S/C20H19N3O4/c1-20(2)18(24)17(15-10-13(11-21)5-6-16(15)27-20)23(19-22-7-9-26-19)12-14-4-3-8-25-14/h3-10,17-18,24H,12H2,1-2H3/t17?,18-/m1/s1
InChIKeyZIIBABKVQLAUFB-QRWMCTBCSA-N
XLogP3.42
TPSA95.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-[furan-2-ylmethyl(1,3-oxazol-2-yl)amino]-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile?
The IUPAC name of (3R)-4-[furan-2-ylmethyl(1,3-oxazol-2-yl)amino]-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile (CID 67641026) is (3R)-4-[furan-2-ylmethyl(1,3-oxazol-2-yl)amino]-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile.
What is the SMILES notation for (3R)-4-[furan-2-ylmethyl(1,3-oxazol-2-yl)amino]-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile?
The canonical SMILES for (3R)-4-[furan-2-ylmethyl(1,3-oxazol-2-yl)amino]-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile is CC1(C)Oc2ccc(C#N)cc2C(N(Cc2ccco2)c2ncco2)[C@H]1O.
What is the InChIKey of (3R)-4-[furan-2-ylmethyl(1,3-oxazol-2-yl)amino]-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile?
The InChIKey is ZIIBABKVQLAUFB-QRWMCTBCSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-20(2)18(24)17(15-10-13(11-21)5-6-16(15)27-20)23(19-22-7-9-26-19)12-14-4-3-8-25-14/h3-10,17-18,24H,12H2,1-2H3/t17?,18-/m1/s1.
What are the key properties of (3R)-4-[furan-2-ylmethyl(1,3-oxazol-2-yl)amino]-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile?
(3R)-4-[furan-2-ylmethyl(1,3-oxazol-2-yl)amino]-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile has a molecular weight of 365.39 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[furan-2-ylmethyl(1,3-oxazol-2-yl)amino]-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile is sourced from PubChem (CID 67641026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).