2-(3-chlorophenyl)-5-[[(2R)-oxolan-2-yl]methylamino]-1,3-oxazole-4-carbonitrile

C15H14ClN3O2 — CID 943094

IUPAC2-(3-chlorophenyl)-5-[[(2R)-oxolan-2-yl]methylamino]-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2cccc(Cl)c2)oc1NC[C@H]1CCCO1
InChIInChI=1S/C15H14ClN3O2/c16-11-4-1-3-10(7-11)14-19-13(8-17)15(21-14)18-9-12-5-2-6-20-12/h1,3-4,7,12,18H,2,5-6,9H2/t12-/m1/s1
InChIKeyDGDZAPMZVNJEDR-GFCCVEGCSA-N
MW303.75 g/mol
LogP3.46
Rot. Bonds4

About 2-(3-chlorophenyl)-5-[[(2R)-oxolan-2-yl]methylamino]-1,3-oxazole-4-carbonitrile

2-(3-chlorophenyl)-5-[[(2R)-oxolan-2-yl]methylamino]-1,3-oxazole-4-carbonitrile (PubChem CID 943094) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-[[(2R)-oxolan-2-yl]methylamino]-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-[[(2R)-oxolan-2-yl]methylamino]-1,3-oxazole-4-carbonitrile
PubChem CID943094
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name2-(3-chlorophenyl)-5-[[(2R)-oxolan-2-yl]methylamino]-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2cccc(Cl)c2)oc1NC[C@H]1CCCO1
InChIInChI=1S/C15H14ClN3O2/c16-11-4-1-3-10(7-11)14-19-13(8-17)15(21-14)18-9-12-5-2-6-20-12/h1,3-4,7,12,18H,2,5-6,9H2/t12-/m1/s1
InChIKeyDGDZAPMZVNJEDR-GFCCVEGCSA-N
XLogP3.46
TPSA71.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chlorophenyl)-5-(oxolan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile
CID 4646747
2-(4-chlorophenyl)-5-(oxolan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile
CID 2920810
5-[[(2R)-oxolan-2-yl]methylamino]-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile
CID 51699394
2-(2-chlorophenyl)-5-[[(2R)-oxolan-2-yl]methylamino]-1,3-oxazole-4-carbonitrile
CID 891806
2-[(3-chlorophenoxy)methyl]-5-[[(2S)-oxolan-2-yl]methylamino]-1,3-oxazole-4-carbonitrile
CID 942408
2-(3-chlorophenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile
CID 18822680
2-(3-chlorophenyl)-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile
CID 939231
5-(oxolan-2-ylmethylamino)-2-(4-piperidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile
CID 16646289
5-(oxolan-2-ylmethylamino)-2-[5-(phenoxymethyl)furan-2-yl]-1,3-oxazole-4-carbonitrile
CID 44616140
2-[(E)-2-(3-methoxyphenyl)ethenyl]-5-[[(2R)-oxolan-2-yl]methylamino]-1,3-oxazole-4-carbonitrile
CID 40746038
2-[(E)-2-(3-methoxyphenyl)ethenyl]-5-(oxolan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile
CID 6200347
2-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-5-[[(2R)-oxolan-2-yl]methylamino]-1,3-oxazole-4-carbonitrile
CID 42587530

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-[[(2R)-oxolan-2-yl]methylamino]-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-(3-chlorophenyl)-5-[[(2R)-oxolan-2-yl]methylamino]-1,3-oxazole-4-carbonitrile (CID 943094) is 2-(3-chlorophenyl)-5-[[(2R)-oxolan-2-yl]methylamino]-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-(3-chlorophenyl)-5-[[(2R)-oxolan-2-yl]methylamino]-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-(3-chlorophenyl)-5-[[(2R)-oxolan-2-yl]methylamino]-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2cccc(Cl)c2)oc1NC[C@H]1CCCO1.
What is the InChIKey of 2-(3-chlorophenyl)-5-[[(2R)-oxolan-2-yl]methylamino]-1,3-oxazole-4-carbonitrile?
The InChIKey is DGDZAPMZVNJEDR-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c16-11-4-1-3-10(7-11)14-19-13(8-17)15(21-14)18-9-12-5-2-6-20-12/h1,3-4,7,12,18H,2,5-6,9H2/t12-/m1/s1.
What are the key properties of 2-(3-chlorophenyl)-5-[[(2R)-oxolan-2-yl]methylamino]-1,3-oxazole-4-carbonitrile?
2-(3-chlorophenyl)-5-[[(2R)-oxolan-2-yl]methylamino]-1,3-oxazole-4-carbonitrile has a molecular weight of 303.75 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-[[(2R)-oxolan-2-yl]methylamino]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 943094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).